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  • 1
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    Springer
    Journal of chemical crystallography 24 (1994), S. 707-710 
    ISSN: 1572-8854
    Keywords: Crystal structure ; platinum ; xanthate ; square planar
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystals of Pt(S2COEt)2 are orthorhombic, Pbca, with (at 20°C)a=7.799(3),b=7.368(6),c=20.588(7) Å.D cale=2.46g cm−3 forZ=4. The platinum atom resides on a crystallographic center of inversion and is bound to the four sulfur atoms of the xanthato ligand in a square planar geometry. The Pt−S distances are 2.313(6) and 2.320(7)Å with an intraligand S−Pt−S angle of 75.1(2)°.
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  • 2
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    Journal of chemical crystallography 25 (1995), S. 841-844 
    ISSN: 1572-8854
    Keywords: Crystal structure ; bismuth chloride complexes ; diphenylammonium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [(C6H5)2NH2]4 +[Bi4Cl16]4− crystallizes in the triclinic space group $$P\bar 1$$ witha=11.835(2),b=12.393(2),c=12.625(3)Å, α=108.37(3), β=108.69(3), γ=96.00(3)° andD c=2.135 g cm−3 forZ=1. The [Bi4Cl16]4− anion is a centrosymmetric cluster of four distorted edge-sharing BiCl6 octahedra. The ranges of the Bi−Cl bonds are 2.484(4)–2.606(3)Å for Bi−Cl(terminal), 2.691(3)–2.956(4)Å for Bi-Cl(µ2), and 2.960(3)–3.120(4)Å for Bi-Cl(µ3). The cations and anions are held in place by weak hydrogen bonds.
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  • 3
    ISSN: 1572-8854
    Keywords: Octahedral ; phosphorus ; chloride
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound [P(tpp)Cl2]+Cl− crystallizes in the space group P21/n witha=10.701(2),b=24.860(2),c=14.799(2), β=94.24(2)°,Z=4. The phosphorus atom has an octahedral coordination geometry formed by the four nitrogen atoms (Np) of the porphyrinato group and the two chloride ions. The average phosphorus-chloride distance is 2.150(1) Å, with phosphorus situated 0.006 Å below the porphyrin ring.
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  • 4
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    Journal of chemical crystallography 25 (1995), S. 215-218 
    ISSN: 1572-8854
    Keywords: Crystal structure ; cyclic sulfite ; pentacycloundecane-8 ; 11-dione
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of the cyclic sulfite derived from the reaction of thionyl chloride withendo-8-hydroxy-exo-8-(endo-8′-hydroxypentacyclo[5.4.0.0.2,6.03,10.05,9]undec-exo-8′-yl)pentacyclo-[5.4.0.0.2,6.03,10.05,9]undecane is reported. All bond lengths and angles are consistent with the strained cage geometry. A static disorder of the terminal oxygen was found to be present.
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  • 5
    ISSN: 1572-8854
    Keywords: Crystal structure ; pinacol ; reductive dimerization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The pinacol resulting from sodium promoted reductive coupling of a methyleneheptacyclo-[6.6.02,6.03,13.04,11.05,9.010,14]tetradecanone possesses a conformation in which equivalent groups on the pinacol carbon are virtually perpendicular to each other. This rotation minimizes steric interactions, thus the geometries of all the fragments in the molecule are within expected values.
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  • 6
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    Journal of chemical crystallography 25 (1995), S. 601-603 
    ISSN: 1572-8854
    Keywords: Crystal structure ; imidazolium ; vinyl
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes with two independent molecules in the unit cell. The two molecules arecis-trans isomers. Crystal data: orthorhombic, P212121,a=7.0417(6),b=9.5341(9),c=25.411(2) Å,Z=8. The crystal structure has been solved by automated Patterson methods and refined toR=0.024 for 1843 observed reflections.
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  • 7
    ISSN: 1572-8854
    Keywords: Crystal structure ; epoxy ester
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of an epoxy ester is described. The structure has been solved by vector search methods and refined by least squares methods toR 1=0.0372 [I〉2σ(I)]. The structure consists of two independent molecules in the asymmetric unit. These molecules are chemically the same. Crystal data: C11H12O4, triclinic, space group $$P\bar 1$$ ,a=10.324(3),b=10.553(7),c=10.869(5)Å, α=61.77(4), β=88.64(4), γ=88.16(6)°,V=1042.7(9)Å3,Z=4.
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  • 8
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    Journal of chemical crystallography 26 (1996), S. 341-346 
    ISSN: 1572-8854
    Keywords: Crystal structure ; hydrated phosphate ; layer-type structure ; strontium phosphate ; strontium phosphate hydrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of a highly hydrated tristrontium phosphate, nonastrontium hexakis(phosphate) hexadecahydrate, Sr9(PO4)6·16H2O, has been determined by single crystal X-ray diffraction. The crystals are monoclinic,a=15.203(2),b=6.488(1),c=18.984(7) Å, β=98.42(2)o, space groupP2/c (No. 13),Z=2,V=1852.3 Å3,d c =2.951 Mg·m−3. The structure was refined by full-matrix least-squares techniques toR=0.038,R w =0.051, for 2329 reflections with I≥3σ(I). The structure can be described in terms of a layer-type arrangement parallel to (100). One layer consists of a compact assembly of columns of Sr and PO4 ions in a pseudohexagonal arrangement resembling an apatitic structure. A second layer containing all the water molecules and one PO4 ion that occupies the interstitial space may be referred to as the hydrated layer. The structure has an overall similarity to that of octacalcium phosphate and can be considered as a model for amorphous calcium phosphate.
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  • 9
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    Journal of chemical crystallography 26 (1996), S. 563-567 
    ISSN: 1572-8854
    Keywords: Crystal structure ; aluminum ; amide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of [(tBu)2Al(μ-NHtBu)]2 has been determined. The unit cell contains two independent molecules with only slight variation in the orientation of thetert-butyl ligands. Crystal data: Triclinic, $$P\bar 1$$ ,a=9.0138(6),b=10.2944(8),c=15.791(1) Å, α=91.262(6), β=89.822(6), γ=106.141(6)°,V=1407.2(2) Å3,Z=2,R=0.039,R w=0.041.
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  • 10
    ISSN: 1572-8854
    Keywords: Crystal structure ; diphenyl amines ; AM1 calculations ; phenothiazines
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structural determination by X-ray crystallography of the titled N-arylamine 4a, as well as AM1 calculations on a series of derivatives (4b–c, 5a–c), are reported. The compound 4a is monoclinic P21/c with a = 7.656(3), b = 23.655(5), c = 7.686(9) Å, β = 112.59(6)°, V = 1285.2(2) Å3 and Z = 4. This structure has been used as a template for the building of some others derivatives used for AM1 calculations. The results show that the cyclization position on the aromatic rings, which can lead to two regioisomers, depends on the nature of the benzylic substituants.
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  • 11
    ISSN: 1572-8854
    Keywords: Crystal structure ; noncentrosymmetric ; disulfide ; imidazolidinedione ; homocystine hydantoin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Di-(2,4-imidazolidinedione-5-ethyl)disulfide or homocystine hydantoin, C10H14N4O4S2 (I), crystallizes in the non-centrosymmetric space group P21 (No. 4) with two molecules in the unit cell with a = 7.132(1), b = 9.282(2), c = 10.770(2) Å and β = 105.68(1)°. The two imidazolidinedione rings are planar with a dihedral angle of 46.9°. The rings are joined by a diethyl disulfide bridge at chiral centers on the rings. The C-S-S-C torsion angle is −80°(−sc). The absolute stereochemistry of the chiral centers was determined to be (5S, 5′S), η = + 0.92 (11). Important bond distances include: S-S = 2.022(4); S-C (mean) = 1.809(8); and C=O (mean) = 1.224(7) Å. The compound is stabilized by a network of intermolecular carbonyl-to-amine hydrogen bonding and van der Waals cohesive forces.
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  • 12
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    Journal of chemical crystallography 28 (1998), S. 831-834 
    ISSN: 1572-8854
    Keywords: Crystal structure ; macrocyclic tetraamine ; isocyanato zinc(II) complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complex, [Zn(L)(NCO)]Cl · 3H2O (1) (L = 3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,01.18,07.12]docosane), has been synthesized and structurally characterized. 1 crystallizes in the monoclinic system, space group P21/n with a = 10.530(3), b = 9.315(2), c = 27.188(3) Å, β = 92.58(1)°, V = 2664.1(9)Å3, and Z = 4. The zinc atom is in a distorted squarepyramidal environment with the four nitrogen atoms of the macrocycle and one nitrogen atom of the isocyanate ligand.
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  • 13
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    Journal of chemical crystallography 28 (1998), S. 867-870 
    ISSN: 1572-8854
    Keywords: Crystal structure ; macrocyclic nickel(II) complex ; chromate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A novel compound catena-(μ-CrO4-O,O′)[Ni(L1)Ni(L2)] 3H2O (1) (L1 = 3,5,10,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane and L2 = 2,5,9,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane) has been synthesized for the first time and structurally characterized. 1 crystallizes in the triclinic space group Pī with a = 9.623(1), b = 10.084(1), c = 12.723 (3) Å, α = 66.74(2), β = 75.20(1), γ = 72.02(1)°, V = 1066.2(3) Å3, and Z = 2. The coordination environment around the Ni(II) ions is an axially elongated octahedron with the secondary amines of the isomeric ligands and two oxygen atoms of [CrO4]2−.
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  • 14
    ISSN: 1572-8854
    Keywords: Crystal structure ; ir/nmr ; β-amino-α ; β-unsaturaled ketone ; noncentrosemmtric ; enamino ketones
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystallographic structural refinement of E-4-(N-methylanilino)-3-pentene-2-one (I) has been carried out by means of three-dimensional single-crystal X-ray diffractometry. The title compound crystallizes in space group C2 (No. 5,Z = 4). The lattice constants are a = 21.543(4), b = 6.433(1), c = 8.019(2) Å, and β = 97.82(3)°. Characterizations include physical property determinations and spectrometric identifications employing IR, 1H and 13C NMR, and X-ray powder analyses. The molecules in the crystal lattice are held together by van der Waals forces. Selected bond distances and angles are presented and discussed as well as synthesis and peripheral studies.
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  • 15
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    Journal of chemical crystallography 28 (1998), S. 145-147 
    ISSN: 1572-8854
    Keywords: Crystal structure ; benzimidazole ; antimicrobial activity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The N-(1H-benzo[d]imidazol-2-ylmethyl)-N-(2,6-dichlorophenyl)amine, C14H11N3Cl2, M r = 292.17, crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 10.707(2), b = 9.615(2), c = 25.944(6) Å. The benzimidazole ring system is planar and makes a dihedral angle of 77.8(1)° with the phenyl ring. The structure is stabilized by an N–H···N hydrogen bond.
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  • 16
    ISSN: 1572-8854
    Keywords: Crystal structure ; coordination polymer ; praseodymium(III) carboxylate complex ; double betaine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A novel polymeric Pr(III) complex with a new double betaine, namely [{Pr(L1)1.5(H2O)2} n ][ClOli4]3 n ·nH2O (1) (L1 = 1,4-diazoniobicyclo[2,2,2]octane-1,4-dipropionate), has been synthesized and characterized by X-ray analysis. In the title complex, the Pr(III) atom is nine-coordinated by seven oxygen atoms from five L1 ligands and two aqua ligands. Each pair of adjacent praseodymium(III) atoms is linked by a pair of μ3 chelating and bridging carboxylate groups, thus forming an infinite metal···metal chain running parallel to the a direction, and such chains are cross-linked by flexible backbones of L1 ligands into a three-dimensional network with the perchlorate anions and lattice water molecules accommodated in the interstitial space. The title complex crystallizes in the monoclinic space group P21/n with a = 8.085(2), b = 14.316(3), c = 29.775(6) Å, β = 103.04(3)° and Z = 4.
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  • 17
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    Journal of chemical crystallography 28 (1998), S. 251-258 
    ISSN: 1572-8854
    Keywords: Crystal structure ; pentacycloundecane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of three compounds formed via ultimate nucleophilic attack of unsaturated hydrocarbon fragments are reported. Geometries of the bis(vinyl)-, mono(vinyl), and bis(ethynyl)-substituted PCU species are unexceptional. The crystal structures are dictated by the availability of intermolecular hydrogen bonding.
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  • 18
    ISSN: 1572-8854
    Keywords: Crystal structure ; tricyclodecadienone ; enaminone ; resolution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of (+)-(1R, 2S, 6R, 7S, 1′R)-5-(1′-phenylethylamino)-endo-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is described. Based on the known absolute configuration (R) of the α-phenylethylamine moiety the X-ray analysis revealed the absolute configuration of the title compound. The structure was refined to R 1 = 0.0298 for 1950 reflections (with I 〉 2σ(I)). Crystal data: C18H19NO, monoclinic, space group P21, a = 6.7406(4), b = 9.959(2), c = 11.3123(8)Å, β = 102.969(5), V = 740.0(2)Å3, and Z = 2.
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  • 19
    ISSN: 1572-8854
    Keywords: Crystal structure ; tricyclodecadienone ; enaminone ; dynamic kinetic resolution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of (−)-(1R, 2S, 6R, 7S, 2′S)-5-(2′-hydroxymethyl-pyrrolidin-1′-yl)-endo-tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is described. Knowing the absolute configuration of the prolinol moiety (S) the X-ray diffraction study established the absolute configuration of the title compound. The structure was refined to R 1 = 0.0322 for 1237 reflections (with I 〉 2σ(I)). Crystal data: C15H19NO2, monoclinic, space group P21, a = 6.0757(4), b = 11.3473(5), c = 9.5114(7)Å, β = 104.686(6)°, V = 634.32(7)Å3, and Z = 2.
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  • 20
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    Journal of chemical crystallography 28 (1998), S. 239-241 
    ISSN: 1572-8854
    Keywords: Crystal structure ; ergosterol peroxide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Ergosterol acetate, in pyridine, reacts with hydrogen peroxide and catalytic amounts of FeCl3 to afford the unusual product 5α,9α-peroxyergosta-7,22-dien-6-one-3β-ol acetate. The peroxide, in the title structure, is seen to bridge the C5 and C9 positions of the sterol backbone. Crystal data: C30H44O5, orthorhombic, P212121, a = 6.552(2), b = 11.048(8), c = 37.60(2), V = 2772(3)Å3, Z = 4.
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  • 21
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    Journal of chemical crystallography 28 (1998), S. 593-596 
    ISSN: 1572-8854
    Keywords: Crystal structure ; cage compound ; hexabenzoylhexaazaisowurtzitane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of an interesting cage compound is described. Crystal data: C48H36N6O6·(CH3)2CO; monoclinic; space group: P2 1 /n; a = 14.948(3) Å, b = 15.079(3) Å, c = 19.539(4)Å, β = 93.93(3)°, V = 4394(2)Å3; and Z = 4.
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  • 22
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    Journal of chemical crystallography 29 (1999), S. 121-125 
    ISSN: 1572-8854
    Keywords: Crystal structure ; brucine ; pantolactone ; molecular complex ; chiral resolution
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract We have determined an X-ray crystal structure, a = 12.482(1), b = 14.349(1), c = 14.342(1) Å, orthorhombic, P212121 for a molecular complex of brucine with pantolactone. The crystal structure is composed of corrugated sheets of brucine molecules containing the guest pantolactone molecules. The conformational twist of the pyrrolidine ring in brucine may probably be important in projecting the amine N2 to provide a strong and specific binding site for a chiral complexation. The pseudo-equatorial orientation of the hydroxyl group of the pantolactone anchors itself for binding via hydrogen bonding. In the crystal packing, the pantolactone molecules form helices and the brucine molecules are attached to these helices by O=H···N hydrogen bonds.
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  • 23
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    Journal of chemical crystallography 24 (1994), S. 711-714 
    ISSN: 1572-8854
    Keywords: Crystal structure ; platinum ; xanthate ; square planar
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystals of Pt(S2COEt)2 are orthorhombic, Pbca, with (at 20°C)a=7.799(3),b=7.368(6),c=20.588(7) Å,D cale=2.46g cm−3 forZ=4. The platinum atom resides on a crystallographic center of inversion and is bound to the four sulfur atoms of the xanthato ligand in a square planar geometry. The Pt−S distances are 2.313(6) and 2.320(7) Å with an intraligand S−Pt−S angle of 75.1(2)°.
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  • 24
    ISSN: 1572-8854
    Keywords: Crystal structure ; norbornene ; stereoselective reduction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Racemicendo-5-acetyl-1,2,3,4-tetrachloro-7,7-dimethoxynorborn-2-ene was stereoselectively reduced by sodium borohydride to give only theS,S orR,R diastereomers. The crystal structure of the product displays no unusual features.
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  • 25
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    Journal of chemical crystallography 25 (1995), S. 291-294 
    ISSN: 1572-8854
    Keywords: Crystal structure ; 1,2-di(1-adamantyl)ethene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of 2-acetoxy-1,2-di(1-adamantyl)ethanone is reported. The steric requirements of the two adamantyl groups affect the structure in three ways—a slight elongation of the central bond, a small expansion of the angles about the central bond, and a conformation in which the C(sp2)-connected adamantyl group virtually bisects the large substituents attached to the sp3 carbon.
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  • 26
    ISSN: 1572-8854
    Keywords: Crystal structure ; pinacol ; reductive dimerization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The pinacol resulting from sodium promoted reductive coupling of pentacyclo[5.4.0.02,6.-03,10.05,9]undecane-8,11-dione monoethylene ketal possesses a conformation, dictated by intramolecular hydrogen bonding, that lies midway between eclipsed and staggered. The C−C and C−O distances in the pinacol unit are, respectively, longer and shorter than usual, and all parameters are as expected.
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  • 27
    ISSN: 1572-8854
    Keywords: Crystal structure ; rubidium nitroprusside ; IR ; Raman ; thermal analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound, Rb2[Fe(CN)5NO], crystallizes in the space group P212121, witha=5.687(1),b=15.956(2),c=12.645(3) Å, andZ=4. Anions are in equivalent C1 sites (one per asymmetric unit) and are slightly distorted octahedra (C4v ideal symmetry). TGA and DTA curves and vibrational (infrared and Raman) spectra of Rb2[Fe(CN)5NO] were obtained. Results are interpreted in view of the crystal structure of the compound and the behavior of related substances.
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  • 28
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    Journal of chemical crystallography 26 (1996), S. 281-286 
    ISSN: 1572-8854
    Keywords: Crystal structure ; cyclopentadiene ; 2,3-dicyano-p-benzoquinone ; Diels-Alder reaction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Diels-Alder cycloaddition of cyclopentadiene (1a) to 2,3-dicyano-p-benzoquinone (2a), when performed in methanol solvent at ambient temperature, proceeds with kinetic control to afford 1α,4α,4aβ,8aβ-tetrahydro-5,8-dioxo-1,4-methanonaphthalene-4a,8a-dicarbonitrile (7, 77% yield). However, when this cycloaddition is performed by refluxing an equimolar solution of1a and2a in benzene for 3 h, the product of thermodynamic control, i.e., 1α,4α,4aα,8aα-tetrahydro-5,8-dioxo-1,4-methanonaphthalene-6,7-dicarbonitrile (3a) is obtained in 64% yield. The structure of3a was confirmed by an analysis of the reduced intramolecular photocyclization product,9.
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  • 29
    ISSN: 1572-8854
    Keywords: Crystal structure ; undecen-olid ; nor-patulolide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The stereogeometry and absolute configuration of the title compound has been proved by an X-ray diffraction analysis. Crystal data: monoclinic, P21,a=7.7976(2),b=7.8288(2),c=8.9791(4) Å, β=90.331(4)o, Z=2. The crystal structure has been solved by vector search methods and refined toR=0.042 for 1798 observed reflections.
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  • 30
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    Journal of chemical crystallography 26 (1996), S. 361-364 
    ISSN: 1572-8854
    Keywords: Crystal structure ; carboxylic acid ; phosphine oxide ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Diphenylphosphinylacetic acid crystallizes in the monoclinic space groupP2l/n with unit cell dimensionsa=5.6875(7),b=17.049(4),c=13.471(2) Å, β=93.36(1)° and Z=4. The molecular packing consists of hydrogen bonded chains arising from intermolecular interactions between a carboxylic acid hydroxyl group and an oxygen of an adjacent phosphine oxide moiety.
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  • 31
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    Journal of chemical crystallography 26 (1996), S. 425-428 
    ISSN: 1572-8854
    Keywords: Crystal structure ; tetracyclo[6.3.0.04,11.05,9]undecane-2,7-dione
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound crystallizes in the triclinic space group, $$P\bar 1$$ , witha=6.7702(4),b=7.0180(4),c=9.1960(7) Å, α=92.457(6), β=96.150(6), γ=93.444(5)°, andZ=2. The structure contains a rather short intramolecular H...H contact of 2.26(4) Å.
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  • 32
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    Journal of chemical crystallography 28 (1998), S. 741-746 
    ISSN: 1572-8854
    Keywords: Crystal structure ; hydrated ions ; ionic hydration ; strontium arsenate ; struvites ; struvite-type structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of strontium potassium arsenate octahydrate, SrKAsO4·8H2O, has been determined by single crystal X-ray diffraction. The crystals are tetragonal, a = 7.144(1), c = 23.613(2) Å, space group I41md (No. 109), Z = 4, V = 1205.1(1) Å3, and d c = 2.258 g cm−3. All cations and anions in this compound are completely surrounded by water molecules. Sr2+ and K+ ions are each coordinated to eight water molecules arranged in an approximately square antiprism. The [Sr(H2O)8]2+ polyhedron shares one face of four water molecules with a [K(H2O)8]+ polyhedron forming O4-Sr-O4-K-O4 polyhedra. The O4-Sr-O4-K-O4 units are linked together through a pair of edge-sharing linkages of the outer water molecules, alternating along the a-axis and b-axis. The hydrated cation polyhedra appear to define the host lattice, which accommodates the AsO 4 3- ion in the interstitial space. The environment of the AsO 4 3- ion consists of 16 water molecules; each oxygen atom is the acceptor in hydrogen bonds from four water molecules. The pair distances associated with this environment may be used in investigations of the structure of hydrated 4 n- ions in solutions. Each water molecule is coordinated to one Sr and one K, and hydrogen bonded to two O atoms of two different AsO 4 3- ions. There is no hydrogen bonding between water molecules.
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  • 33
    ISSN: 1572-8854
    Keywords: Crystal structure ; bicyclononane ; triazene ; bis-triazene ; nitrile substituent ; nitro substituent ; trifluoromethyl substituent ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of a series of 3,7-bis(arylazo)-1,3,5,7-tetraazabicyclo[3.3.1] nonanes (1a–d) have been determined by single crystal X-ray diffraction analysis. All four compounds have the same feature, that the tetraazabicyclononane unit assumes a cage-like structure with the aryltriazene moieties lying parallel to one another so that the aryl rings are held together by π – π stacking. Crystal data: 1a C17H18N10O4, triclinic, space group P − 1, a = 9.8899(10), b = 13.0845(13), c = 16.458(2) Å, α = 94.095(2)°, β = 107.004(2)°, γ = 111.027(2)°, V = 1863.5(3) Å3 and Z = 4; 1b, C19H18F6N8, orthorhombic, space group Pbca, a = 15.3210(8), b = 10.9512(6), c = 24.5698(13) Å, V = 4122.4(4) Å3 and Z = 8; 1c C19H18N10, monoclinic, space group P21/n a = 6.3742(6), b = 13.7343(13), c = 21.542(2)Å, β = 97.738(2)°, V = 1868.8(3) Å3, and Z = 4; 1d, C19H18N10, monoclinic, space group P21/c, a = 18.205(2), b = 17.398(2), c = 12.784(12) Å, β = 109.480(2)°, V = 3818.0(6) Å3, and Z = 8.
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  • 34
    ISSN: 1572-8854
    Keywords: Crystal structure ; centrosymmetric ; methoxybenzo [b] thiophene ; estrogen receptor ; tubulin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structures of two methoxybenzo [b] thiophenes have been determined by three-dimensional, single-crystal X-ray diffractometry. Both 3-(3′,4′,5′-trimethoxybenzoyl)-2-(4′-methoxyphenyl)-6-methoxybenzo[b]thiophene and 3-(3′,4′,5′-triethoxybenzoyl)-2-(4′-methoxyphenyl)-6-methoxybenzo[b]thiophene (hereafter referred to as I and II, respectively) crystallize in the triclinic centrosymmetric space group $$P \bar 1$$ (No. 2, C1) with two formula units per cell with a = 6.842(1) Å, b = 12.602(2) Å, c = 13.815(2) Å, α = 94.80(1)°, β = 98.27(2)°, and γ = 100.59(2)° and a = 10.600(1), b = 11.415(2), c = 12.137(2) Å, α = 94.57(1)°, β = 101.18(1)°, and γ = 110.45(1)°, respectively. The phase problems were solved by direct methods and the respective final full-matrix least-squares refinements converged to R = 0.039 and 0.068. The structures differ in the orientation of the trimethoxy and triethoxy groups of the benzoyl ligands. The molecules in the crystal lattice are held together by van der Waals forces. Selected bond distances, angles, and torsion angles are tabularized as well as reference to the synthesis of the title compounds and peripheral studies.
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  • 35
    ISSN: 1572-8854
    Keywords: Crystal structure ; coordination polymer ; erbium(III)–sodium(I) carboxylate complex ; picolinic acid N-oxide
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    Topics: Geosciences , Physics
    Notes: Abstract A new Er(III)–Na(I) coordination polymer of stoichiometry [NaEr2L5(H2O)6(NO3)](NO3)·3.5H2O (HL = picolinic acid N-oxide) has been synthesized and characterized by single-crystal X-ray analysis. Crystals are triclinic, PĪ with a = 9.823(2), b = 12.453(2), c = 20.643(4) Å; α = 98.49(3), (β = 101.40(3), γ = 108.69(3)°; V = 2284(1) Å3; Z = 2. Of the two independent eight-coordinate erbium(III) ions in this complex, one is surrounded by four bidentate chelating L ligands, and the other by one bidentate chelating L ligand, four aqua ligands and two anti-carboxylate oxygen atoms from two neighboring [ErL4] units. The sodium(I) ion is in a distorted octahedral environment, being coordinated by a unidentate nitrate anion, three aqua ligands and two anti-carboxylate oxygen atoms from two adjacent [ErL4] units. The complex is built from zigzag chains of syn-anti carboxylate-bridged erbium(III) moieties directed in the a direction, which are cross-linked pairwise by aqua-bridgeddimericsodium(I) units. The resulting composite polymeric chains are further connected by hydrogen bonds to form a three-dimensional network.
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  • 36
    ISSN: 1572-8854
    Keywords: Crystal structure ; tin porphyrin ; two-stage hydrolysis ; methanolate ; trans equivalent axial ligand
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    Topics: Geosciences , Physics
    Notes: Abstract In this work, we determine the crystal structure of dimethoxo(meso-tetra(4-methoxyphenylporphyrinato))tin(IV), Sn(tmpp)(OMe)2 (1). Experimental results indicate that the tin atom has an octahedral geometry. The geometry around the tin center has Sn(1)–O(5) = 2.020(6), Sn(1)–O(6) = 2.003(7) Å and an average Sn(1)–N = 2.10(1) Å. The two methoxo groups are unidentately coordinated to the tin(IV) atom. Two-stage hydrolysis of Sn(tmpp)(OMe)2 in CDCl3 was observed by 1H and 13C NMR spectroscopy. Compound (1) crystallizes in the space group P21/n with a = 14.7492(1), b = 19.2022(3), c = 16.0806(2) Å, β = 94.104(1)°, and Z = 4.
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  • 37
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    Journal of chemical crystallography 28 (1998), S. 475-479 
    ISSN: 1572-8854
    Keywords: Crystal structure ; coordination polymer ; gadolinium(III)-copper(II) complex ; iminodiacetic acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A novel polymeric Gd2Cu3 complex of iminodiacetic acid (H2L1=NH{CH2COOH}2), namely, Gd2Cu3(L1)6, 1, has been synthesized and structurally characterized. In the title complex, the Gd3+ ion is nine-coordinated by six O atoms from three bidentate chelating carboxylate groups and three O atoms from three anti-anti bridging carboxylic groups of six L1 ligands; the Cu2+ ion is six-coordinated by four O and two N atoms from two chelating L1 ligands. Each pair of Gd(III) atoms is bridged by three L1 ligands, each of which also chelates with one copper(II) ion, thus forming a Gd2Cu3 cluster unit. Such cluster units are cross-linked by flexible L1 ligands into a three-dimensional coordination framework. The title complex crystallizes in the trigonal space group P-3c1 (No. 165) with a = b = 13.433(4), c = 14.770(6) Å; V = 2308(1) Å3; Dcalca = 1.859 g cm−3; Z = 2.
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  • 38
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    Journal of chemical crystallography 29 (1999), S. 15-18 
    ISSN: 1572-8854
    Keywords: Crystal structure ; dimer ; triazole
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    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the monoclinic space group, P21/n; a = 9.0024(5), b = 5.8135(3), c = 15.2232(8) Å, β = 91.153(4)° Z = 4; and R = 0.050 based on 853 observed, unique reflections. The structure consists of two fused five-membered triazole rings, oriented relative to each other at 152°.
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  • 39
    ISSN: 1572-8854
    Keywords: Crystal structure ; biphenyl ; mutual orientation ; strong H-bonds
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    Topics: Geosciences , Physics
    Notes: Abstract 5,5′-Di t-butyl-2,2′-biphenyldiol (I), C20H26O2, crystallizes in the orthorhombic space group P212121 with a = 18.243(2), b = 9.947(2), c = 9.685(3) Å, and Z = 4; 5,5′-dimethyl-2,2′-biphenyldiol (II), C14H14O2, crystallizes in the monoclinic space group P21/c with a = 9.959(2), b = 7.932(3), c = 15.392(2) Å, β = 105.43(2)°, and Z = 4. The aromatic rings are tilted by 52.7(1) and 43.8(1)° to each other in compounds (I) and (II), respectively. Strong intra- and inter-molecular H-bonds connect the molecules in the crystals.
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  • 40
    ISSN: 1572-8854
    Keywords: Crystal structure ; indium complexes ; isothiocyanate complexes ; octahedral coordination
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    Topics: Geosciences , Physics
    Notes: Abstract The reaction of a 1:10 molar ratio between indium chloride and tetra-n-butylammonium thiocyanate in ethanol affords the complex [(n-C4H9)4N]3[In(NCS)6] (1), the structure of which has been established by X-ray diffraction. This compound crystallizes in the cubic space group Pa3¯ with eight formula units in the unit cell. The formula unit consists of three separate cationic tetra-n-butylammonium groups and an independent hexakisisothiocyanatoindium anionic group. The six near linear thiocyanate ligands coordinate octahedrally through the nitrogen atom to the indium metal center. The coordination of the n-butyl groups to the ammonium-nitrogen atom is tetrahedral. The complex has also been characterized by IR, 1H and 13C NMR, physical properties, and X-ray powder analysis.
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  • 41
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    Journal of chemical crystallography 29 (1999), S. 145-156 
    ISSN: 1572-8854
    Keywords: Crystal structure ; bicycloundecane ; triazene ; bis-triazene ; nitro substituent ; carboalkoxy substituent ; π–π stacking
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of a series of 3,8-di[-2-aryl-1-azenyl]-1,3,6,8-tetraazabicyclo[4.4.1]undecanes (1–5) have been determined by single crystal X-ray diffraction analysis. In all five compounds, the tetraazabicycloundecane portion of the molecule assumes a cage-like, folded structure with the aryltriazene moieties aligned approximately parallel; the structure is held in the folded configuration by either intramolecular or intermolecular π–π stacking forces. Crystal data: 1 C19H22N10O4, monoclinic space group P21/c, a = 10.1846(7), b = 9.9556(7), c = 20.819(2) Å, β = 98.725(1)°, V = 2086.5 (3) Å3, Z = 4; 2 C23H28N8O4, triclinic, space group Pī, a = 6.7064(7), b = 12.9662(14), c = 14.054(2) Å, α = 94.796(2), β = 91.621(2), γ = 104.836(2)°, V = 1175.7(2) Å3, Z = 2; 3 C19H22N10O4, monoclinic, space group P21/c, a = 14.237(2), b = 13.520(2), c = 11.5805(12) Å, β = 113.514(2)°, V = 2044.0(4) Å3, Z = 4; 4 C21H22N10, monoclinic, space group C2/c, a = 54.247(3), b = 11.5531(7), c = 12.9670(7) Å, β = 95.710(1)°, V = 8086.4(8) Å3, Z = 16; 5 C25H32N8 04, monoclinic, space group P21/c, a = 10.2908(7), b = 16.5687(12), c = 15.1662(10) Å, β = 94,188(1)°, V = 2579.0(3) Å3, Z = 4.
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  • 42
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    Journal of chemical crystallography 29 (1999), S. 351-354 
    ISSN: 1572-8854
    Keywords: Crystal structure ; dibromotriblattene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction of 4-bromopentacyclo[7.3.0.02,7.03,11.06,10]dodec-11-ene (1) with Br2—CCl4 afforded 4,4,5-tribromopentacyclo[7.3.0.02,7.03,11.06,10]dodecane (2) in 89–94% yield. Subsequent treatment of 2 with KOt-Bu-t-BuOH resulted in competitive elimination of the elements of HBr and of Br2 with concomitant formation of 4,5-dibromopentacyclo[7.3.0.02,7.03,11.06,10]dodec-11-ene (3, 76%) and 1 (17%), respectively. The structure of 3 was established unequivocally via application of X-ray crystallographic methods. Crystal data for 3: monoclinic, C2/c, a = 9.895(1), b = 9.0963(7), c = 12.471(1) Å, β = 106.875(8)°, z = 4.
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  • 43
    ISSN: 1572-8854
    Keywords: Crystal structure ; AM1 ; x-ray diffraction ; dihydropiridines
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    Topics: Geosciences , Physics
    Notes: Abstract The synthesis and structural characterization of Methyl 6-chloro-4-(2-chlorophenyl)-5-formyl-2-methyl-1,4-dihydropyridine-3-carboxylate is described. The structure was refined to R1 = 0.0470 for 2665 reflections (with I 〉 2σ(I)). Crystal data: C15H13C12NO3, monoclinic,space group P21/c, a = 11.163(9), b = 14.484(8), c = 9.422(7) Å, V = 1512.9(19) Å3, Z = 4. The results of crystallographic and molecular modeling (AM1) were compared. The Cl atom attached to the phenyl group has two possible orientations, having 75% (sp) and 25% (ap) occupancy, respectively. The molecules in the crystal are held together by means of intermolecular hydrogen bonds of the type N=H...O and by C=H...O interactions.
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  • 44
    ISSN: 1572-8854
    Keywords: Crystal structure ; manganese(IV) cluster ; adamantane-shaped complex ; tetranuclear complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A tetranuclear manganese (IV) complex, [L4Mn4O6](ClO4)4·2H2O (1), with 1,4,7-triazacyclononane (L) as the capping ligands, has been synthesized and characterized by X-ray diffraction; monoclinic, space group P21/n with a = 21.335(6) Å, b = 11.387(3) Å, c = 21.788 (6) Å, β = 111.410 (6)°, V = 4928 (2) Å, Z = 4. Each manganese atom has a distorted octahedral environment comprised of three facially coordinated amine nitrogen atoms and three oxygen atoms, and the cation is an idealized tetrahedron. The Mn4O6 4+ cation corresponds to an adamantane skeleton.
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  • 45
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    Journal of chemical crystallography 25 (1995), S. 747-750 
    ISSN: 1572-8854
    Keywords: Crystal structure ; trishomocubanone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of a bis(benzyloxy)trishomocubanone with molecular C2 symmetry reveals that substitution of benzyloxy groups has little effect on the trishomocubane cage.
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  • 46
    ISSN: 1572-8854
    Keywords: Crystal structure ; 1,3-oxazoline-2-thione ; resonance structures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound C13H13NO3S2 crystallizes in the triclinic space group $$P\bar 1$$ (Z=2) with lattice constantsa=8.382(2),b=10.042(2),c=10.134(2) Å, α=119.35(1)°, β=101.40(1)° and γ=90.54(1)°. The interplanar angle between the least squares planes of the 1,3-oxazoline ring and the phenyl ring amounts to 90.2°, thus hindering conjugation between the benzene and heterocyclic system. The observed bond parameters of the five-membered heterocycle suggest a significant contribution from a zwitterionic dipolar limiting structure [38.7(5)%] to the description of this ring system. The particular contributions of the resonance structures were estimated by calculations using the HOSE model on the base of the observed bond lengths.
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  • 47
    ISSN: 1572-8854
    Keywords: Crystal structure ; pentacycloundecan-8-one ; pentacycloundecane-8,11-dione
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    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of an asymmetric pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8,11-dione derivative is reported, in which Me3SiCN has been added across one of the keto groups. The cage structure demonstrates the expected effects of this addition.
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  • 48
    ISSN: 1572-8854
    Keywords: Crystal structure ; diyne ; oxidative dimerization
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure consists of two acetyl-substituted PCU cages linked by a diyne fragment. The conformation about the linker is midway between staggered and eclipsed, and the acetyl groups are somewhat distorted due to the proximity to the bulky cage units.
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  • 49
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    Journal of chemical crystallography 26 (1996), S. 695-699 
    ISSN: 1572-8854
    Keywords: Crystal structure ; 2,2'-bi-1H-imidazole ; cadmium chloride
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    Topics: Geosciences , Physics
    Notes: Abstract The reaction between cadmium(II) chloride and 2,2'-bi-1H-imidazole (H2biim) in an acidic solution affords [Cd(H3biim)2Cl4] (H3biim=2-(2-1H-imidazolyl)-1H-imidazolium) in 63% yield. The compound crystallizes in the triclinic space groupP1, wherea=8.072(2),b=8.100(2),c=8.593(2) Å, α=75.89(2), β=62.94(2), γ=63.29(1)°,V=446.4(2) Å3, andZ=1. The central Cd atom exhibits an octahedral geometry composed of a Cl4N2 core. The Cd-N bond distance is 2.392(2) Å. Cd−Cl distances are 2.5919(9) and 2.671(1) Å.
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  • 50
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    Journal of chemical crystallography 26 (1996), S. 801-806 
    ISSN: 1572-8854
    Keywords: Crystal structure ; centrosymmetric ; methoxybenzo[b]thiophene ; estrogen receptor ; tubulin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structures of two methoxybenzo[b]thiophenes have been determined by three-dimensional, single-crystal X-ray diffractometry. Both 3-(4′-hydroxy-3′, 5′-dimethoxybenzoyl)-2-(4′-methoxyphenyl)-6-methoxybenzo[b]thiophene and 3-(2′,6′-dimethoxybenzoyl)-2-(4′-methoxyphenyl)-6-methoxybenzo[b]thiophene (hereafter referred to asI andII, respectively) crystallize in the monoclinic centrosymmetric space groupP21/n (No. 14, C 2h 5 ) with four formula units-per cell witha=6.866(1),b=28.638(2),c=11.830(2) Å, and β=105.52(1)° anda=9.328(1),b=7.977(1),c=29.650(4) Å, and β=97.87(1)°, respectively. The phase problems were solved by direct methods and the respective final full-matrix least-squares refinements converged toR=0.046 and 0.031. The structures differ in the positioning of the dimethoxy groups of the benzoyl ligands and the addition of a hydroxyl group inI. The molecules in the crystal lattice are held together by van der Waals forces plus the addition of hydrogen bonding in compoundI. Selected bond distances and angles and torsion angles are tabularized.
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  • 51
    ISSN: 1572-8854
    Keywords: Crystal structure ; hexacyclopentadeca-5,7-diene-3,10-dione
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    Topics: Geosciences , Physics
    Notes: Abstract Reaction between vinylmagnesium bromide and the cage dione leads to attack of only one equivalent of Grignard and intramolecular nucleophilic attack on the second ketone. The product compound crystallizes in the monoclinic space group, P21/a, witha=9.509(1),b=11.071(2),c=12.492(4) Å, β=104.32(2)°, andZ=4.
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  • 52
    ISSN: 1572-8854
    Keywords: Crystal structure ; receptor ; clip shaped molecule
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of a clip containing molecule is described. The structure was solved by vector search methods and refined by least squares methods toR l=0.0768 [I〉2σ(I)]. Crystal data: C40H30N4O2·HCCl3, triclinic, space group $$P\bar 1$$ ,a=9.302(2),b=12.981(2),c=15.765(2)Å, α=65.91(2)°, β=76.40(2)°, γ=80.15(1)°,V=1682.9(4)Å3, Z=2.
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  • 53
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    Journal of chemical crystallography 26 (1996), S. 639-642 
    ISSN: 1572-8854
    Keywords: Crystal structure ; chiral auxiliaries
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    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of a new azetidine-2-carboxylic amide derivative is described. The structure was solved by direct methods and refined by least squares methods toR1=0.0393 for 4264 reflections (withI〉2σ(I)) The structure consists of two independent molecules which are chemically the same with slight differences in geometry. Crystal data: C17H24N2O, monoclinic, space groupP21,a=8.3782(4),b=20.0342(13),c=9.7769(8) Å, β=109.687(6)°,V=1545.1(2)Å3,Z=4.
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  • 54
    ISSN: 1572-8854
    Keywords: Crystal structure ; triazene ; bis-triazene ; nitrile substituent ; methoxy substituent ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 1,2-bis-{1-(2-cyanophenyl)-3-methyltriazen-3-yl-}ethane (1) and 1,2-bis-{1-(2-methoxyphenyl)-3-methyltriazen-3-yl-}ethane (2) have been determined by single crystal X-ray diffraction analysis. Bis-triazene (1) exists as the “staggered” conformation in the solid state, with an anti-anti configuration around the N2–N3 bond of the triazene units, whereas 2 assumes a “gauche” conformation with the syn-syn configuration in the triazene units. Crystal data: 1 C18H18N8, triclinic, space group P −1, a = 6.108(2), b = 8.118(3), c = 9.600(4)Å, α = 101.37(7)°, β = 96.47(7)°, γ = 102.71(5)°, V = 449.1(3)Å3, Z = 2; 2 C18H24N6O2, monoclinic, space group P 21/n, a = 13.119(5), b = 7.745(2), c = 19.201(2)Å, β = 96.47(7)°, V = 1910.3(9)Å3, Z = 4.
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  • 55
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    Journal of chemical crystallography 28 (1998), S. 39-46 
    ISSN: 1572-8854
    Keywords: Crystal structure ; 1,8-disulfonato-3,4,5,6-acridinetetracarboxylic acid ; 3,4,5,6-tetracarboxyacridine-1,8-disulfonate ; paraquat ; hydrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Two hydrated salts of 1,8-disulfonato-3,4,5,6-acridinetetracarboxylic acid, H2L, have been characterized by single-crystal X-ray analysis. Compound 1, Na2L·9 $$ - \frac{1}{2}$$ H2O, crystallizes in the monoclinic space group C2/c with a = 42.005(1), b = 6.838(1), c = 23.807 (1) Å, β = 122.71 (1)°, and Z = 8. Compound 2, (paraquat)L·2H2O, belongs to the triclinic space group $${P\bar 1}$$ with a = 9.940(1), b = 11.543(1), c = 14.033(1) Å, α = 105.45(1), β = 95.82(1), γ = 100.14(1)° and and Z = 2. All four carboxyl groups in the 3,4,5,6-tetracarboxyacridine-1,8-disulfonate dianion L2− are un-ionized. In 1 the distorted octahedrally coordinated sodium cations, the anions, and the lattice water molecules are joined together by hydrogen bonds to generate a three-dimensional network. In the crystal structure of 2, a host framework composed of L2− ions and water molecules accommodate the paraquat dications within two channel systems running parallel to the a and b axes.
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  • 56
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    Journal of chemical crystallography 28 (1998), S. 259-266 
    ISSN: 1572-8854
    Keywords: Crystal structure ; heptacyclotetradecane ; hexacyclotetradecane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystal structures of four dibromomethylene-functionalized hexa- and heptacyclotetradecane cages are reported. 7-(Dibromomethylene)heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane (3): orthorhombic, Pnma, a = 14.744(1), b = 11.237(1), c = 7.4625(7) Å Z = 4; R = 0.0531 for 504 observed reflections. 7,12-Bis(dibromomethylene)heptacyclo[6.6.0.02,6.03,13-04,11 .05,9.010,14]tetradecane (4): monoclinic, I2/a, a = 11.257(1), b = 9.5844(8), c = 13.884(2) Å, β = 92.254(8)° Z = 4; R = 0.0413 for 663 observed reflections. 10,14-bis(dibromomethylene)hexacyclo[6.6.0.02,6.03,13.04,11.05,9]tetradecane (6): monoclinic, P21/n, a = 8.118(1), b = 15.273(4), c = 12.826(3) Å, β = 104.20(1)° Z = 4; R = 0.0384 for 1392 observed reflections. 14-(dibromomethylene)hexacyclo[6.6.0.02,6.03,13.04,11.05,9]tetradecan-10-one (7): monoclinic, P21/n, a = 8.2879(7), b = 15.273(1), c = 10.0565(9) Å, β = 92.271(8)° Z = 4; R = 0.0320 for 1402 observed reflections. The functional groups lead to slight shortening of bond lengths.
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  • 57
    ISSN: 1572-8854
    Keywords: Crystal structure ; samarium(III) complexes ; iron(III) complexes ; cyanide-bridges ; dinuclear complexes
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    Topics: Geosciences , Physics
    Notes: Abstract A new complex, [Sm(DMF)4(H2O)4Fe(CN)6]·H2O (DMF = N, N-dimethylformamide), has been synthesized and characterized by X-ray single crystal structure and thermogravimetric analyses. The complex crystallizes in the P21/n space group, with lattice parameters a = 17.583(4) Å, b = 8.870(2) Å, c = 19.845(6) Å, β = 95.98(3)°, V = 3078(1) Å3, D x = 1.679 Mg m−3, D m = 1.65(1) Mg m−3, Z = 4. The molecular structure shows that a cyano-bridged bimetallic structure is obtained. The Sm atom is coordinated by eight oxygen atoms of four water molecules and four DMF molecules and one nitrogen atom of the bridging cyanide ligand. The iron atom assumes approximately an octahedral environment surrounded by six CN ligands. The hydrate water molecule is hydrogen-bonded to one of the O atoms bound to Sm. Each terminal CN ligand of the Fe(CN) 6 3− entity is hydrogen-bonded to some O atoms of water molecules. An infrared spectrum is also reported.
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  • 58
    ISSN: 1572-8854
    Keywords: Crystal structure ; complexes ; pteridine ; lumazine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract In aqueous hydrobromic medium, Na[AuCl4] reacts with 1,3-dimethyllumazine (1,3-dimethyl-pteridine-2,4(1H,3H)-dione, DLM) or 1,3,6,7-tetramethyllumazine (DLMD) to give three adducts with simplified formulas Na[AuBr4](DLMD), Na[AuBr4](DLM), and Na[AuBr4](DLM)2. These compounds have been characterized by means of analytical techniques, and IR and NMR spectroscopies. Single-crystal x-ray diffraction studies have been made on the Na[AuBr4](DLM)2 compound. The crystals belong to the orthorhombic Pbca space group, with a = 15.249(1), b = 15.238(2), c = 21.563(2) Å, Z = 8, and R = 0.053. The structure consists of planar [AuBr4]− anions and Na+ cations weakly linked to two crystallographically independent DLM molecules. The Na+ cation interacts weakly with four oxygen and one nitrogen atoms from four different pteridine molecules, its environment may be described as a very distorted square pyramid.
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    Journal of chemical crystallography 28 (1998), S. 649-651 
    ISSN: 1572-8854
    Keywords: Crystal structure ; aluminum ; hydride ; complex ; quinuclidine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction of AlH3[N(CH2CH2)3CH] with hexamethyltrisiloxane, (OSiMe2)3, gives rise to the bis-quinuclidine complex AlH3[N(CH2CH2)3CH]2, which has been characterized by 1H and 13C NMR spectroscopy and X-ray crystallography. The molecular structure of AlH3[N(CH2CH2)3CH]2 consists of a trigonal bipyramidal aluminum with axial coordination of the quinuclidine ligands. Crystal data: orthorhombic, space group Pbcn, a = 10.6895(9), b = 12.266(1), c = 12.3794(9) Å, V = 1623.2(2) Å3, and Z = 4.
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    Journal of chemical crystallography 29 (1999), S. 323-327 
    ISSN: 1572-8854
    Keywords: Crystal structure ; cyclohexaphosphate ; hydrate
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    Topics: Geosciences , Physics
    Notes: Abstract The synthesis and crystal structure of a novel hydrate of lithium cyclohexaphosphate are reported. Li6P6O18·10H2O crystallizes in the space group C2/c with a = 15.113(5), b = 12.006(2), c = 15.892(2) Å, β = 122.85(2)°, and Z = 4. The structure consists of P6O18 ring layers stacked along the c direction in between which are located the lithiumions and water molecules. Two LiO4 tetrahedra share common edges with LiO5 pseudosquare pyramids to form two independant Li3O9 units. About 50% of the water molecules have fractional occupancy rates and form fragments of molecules. A linear relationship is established between the relative cell volume V/Z and the hydration degree, n, for all the known hydrates: Li6P6O18·nH2O.
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    Journal of chemical crystallography 29 (1999), S. 347-349 
    ISSN: 1572-8854
    Keywords: Crystal structure ; pentacycloundecane ; triple bonds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Intramolecular dehydration of a cage-diol results in the title compound. This crystallizes in the monoclinic space group P21/c; a = 8.6403(8), b = 9.5698(7), c = 14.062(1) Å β = 107.47(7)° and Z = 4.
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  • 62
    ISSN: 1572-8854
    Keywords: Crystal structure ; complexes ; cobalt ; benzoylhydrazone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of bis-(6-amino-5-formyl-1,3-dimethyluracilato benzoylhydrazone)cobalt(II) dimethylformamide solvate is described. This compound crystallizes in the triclinic system, space group P1¯, Z = 2 with a = 9.7368(8), b = 12.346(1), c = 17.184(1) Å, α = 78.372(6), β = 74.585(6), γ = 71.113(5)°, and V = 1869.0(3) Å3. The coordination polyhedron around the metal ion displays a slightly flattened M(NNO)2 octahedral shape. Both ligands bind in a trident fashion through the benzoylic oxygen atom, the hydrazone nitrogen atom closer to the uracil ring, and the deprotonated nitrogen atom of the amino group. The two ligands exhibit quite different conformations: one of them is almost planar, whereas the other is severely twisted.
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  • 63
    ISSN: 1572-8854
    Keywords: Crystal structure ; hydrogen bonds ; 1H and 13C NMR ; FTIR
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new pyridine containing compound, 4,4′-bis(4-pyridylethyl)biphenyl 1, was synthesized and its structure was determined by X-ray crystallography. Two kinds of two-dimensional networks linked by hydrogen bonds were obtained with different crystal solvents: 1·2H2O, monoclinic, space group P21/n with a = 8.3280(10), b = 5.5990(10), c = 24.054(4) Å, β = 98.79(2)°, V = 1108.4(3) Å3, Z = 2, Dc = 1.200 g cm−3, R1 = 0.0558; 1·CH3OH·2H2O, triclinic, space group P-1 with a = 8.3310(10), b = 12.861(2), c = 13.111(2) Å, α = 64.110(10), β = 75.000(10), γ = 83.750(10)°, V = 1220.7(3) Å3, Z = 2, Dc = 1.177 g cm−3, R1 = 0.0529. It is interesting that in the hydrate the host molecule of 1 contains an essentially flat biphenyl section, while in the methanol complex the host molecule of 1 contains a substantial twist in the center of the biphenyl section. The compounds were also characterized by NMR and FTIR spectroscopies. The 1H and 13C NMR assignments for 1 were carried out by 2D NMR spectral measurements in acetonitrile-d 3.
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  • 64
    ISSN: 1572-8854
    Keywords: Crystal structure ; poly(pyrazolyl)borate ligands ; zinc(II)
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    Topics: Geosciences , Physics
    Notes: Abstract [HB(3,4,5-Me3pz)3]2Zn (1) and [H2B(3,4,5-Me3pz)2]Zn(μ-3,4,5-Me3pz)2Zn[H2B(3,4,5-Me3pz)2] (2) are present in equal amounts in a crystal in the triclinic space group, P-1 with a = 11.5924(11) Å, b = 12.7799(12) Å, c = 15.7317(14) Å α = 107.905(2)° β = 96.796(2)°, γ = 105.786(2)°, and Z = 1. The structure of 1 is a trigonally distorted octahedron and is very similar to the structure of [HB(3,5-Me2pz)3]2Zn showing that the introduction of the third methyl group on the pyrazolyl ring does not impact on structure. [H2B(pz)2]2Zn (3) is orthorhombic, Pca2(1) with a = 10.1473(3) Å, b = 11.1117(2) Å, c = 14.1831(5) Å, α = β = γ = 90° and Z = 4. The zinc(II) centers in both 2 and 3 are similar and have pseudotetrahedral structures.
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    Journal of chemical crystallography 30 (2000), S. 335-338 
    ISSN: 1572-8854
    Keywords: Crystal structure ; cobalt(II) complex ; tetraaza macrocycle ; 2-pyridylmethyl pendant arms
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complex [Co(L)]Cl2·10H2O (1) (L = 2,13,-bis(2-pyridylmethyl)-3,14-dimethyl-2,6,13,17-tetraazatricyclo[14,4,01.18,07.12]docosane) has been synthesized and structurally characterized. Compound 1 crystallizes in the triclinic system, space group P-1 with a = 9.731(2) Å, b = 9.789(2) Å, c = 11.998(1) Å, α = 66.66(1)°, β = 76.95(1)°, γ = 87.99(2)°, V = 1020.4(3) Å3, and Z = 1. The crystal structure of 1 shows that the complex is centrosymmetric and the cobalt(II) ion has a slightly distorted octahedral geometry with four nitrogen atoms of the macrocycle and two nitrogen atoms of the pendent arms at the axial positions. Cyclic voltammetry for 1 undergoes reversible one-electron oxidation to the Co(III) and irreversible one-electron reduction to the Co(I).
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    Journal of chemical crystallography 30 (2000), S. 459-462 
    ISSN: 1572-8854
    Keywords: Crystal structure ; chemical synthesis ; 2,3-dihydronaphto[2,3-b] [1,5) dioxepin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The X-ray single crystal structure of C13H12O2 compound was determined. It crystallizes in the orthorombic space group P212121 with a = 7.8847(7), b = 9.639(1), c = 13.432(2) Å, Z = 4 and V = 1020.8(3) Å3. The final R converged to 0.037 for 1763 independent reflexions. The title compound forms layers parallel to (1 0 0) planes and the three dimensional cohesion of the crystal is assumed by Van der Waals interactions. The molecule consists of two six-membered rings (A and B) and a seven-membered ring (C). A and B rings are planar, whereas the C ring has a chair conformation
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  • 67
    ISSN: 1432-0789
    Keywords: Key words Phosphorus dynamics ; Olsen ; phosphorus ; Soil phosphorus fractions ; Manure ; Soybean-wheat rotation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences , Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract  Soil P availability and efficiency of applied P may be improved through an understanding of soil P dynamics in relation to management practices in a cropping system. Our objectives in this study were to evaluate changes in plant-available (Olsen) P and in different inorganic P (Pi) and organic P (P0) fractions in soil as related to repeated additions of manure and fertilizer P under a soybean-wheat rotation. A field experiment on a Typic Haplustert was conducted from 1992 to 1995 wherein the annual treatments included four rates of fertilizer P (0, 11, 22 and 44 kg ha–1 applied to both soybean and wheat) in the absence and presence of 16 t ha–1 of manure (applied to soybean only). With regular application of fertilizer P to each crop the level of Olsen P increased significantly and linearly through the years in both manured and unmanured plots. The mean P balance required to raise Olsen P by 1 mg kg–1 was 17.9 kg ha–1 of fertilizer P in unmanured plots and 5.6 kg ha–1 of manure plus fertilizer P in manured plots. The relative sizes of labile [NaHCO3-extractable Pi (NaHCO3-Pi) and NaHCO3-extractable P0 (NaHCO3-P0)], moderately labile [NaOH-extractable Pi (NaOH-Pi) and NaOH-extractable P0 (NaOH-P0)] and stable [HCl-extractable P (HCl-P) and H2SO4/H2O2-extractable P (resisual-P)] P pools were in a 1 : 2.9 : 7.6 ratio. Application of fertilizer P and manure significantly increased NaHCO3-Pi and -P0 and NaOH-Pi, and -P0 fractions and also total P. However, HCl-P and residual-P were not affected. The changes in NaHCO3-Pi, NaOH-Pi and NaOH-P0 fractions were significantly correlated with the apparent P balance and were thought to represent biologically dynamic soil P and act as major sources and sinks of plant-available P.
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    Bulletin of volcanology 55 (1993), S. 571-587 
    ISSN: 1432-0819
    Keywords: Volcanism ; Mexico ; Holocene ; History ; Pico ; Citlaltepetl ; Volcano
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract The Late Pleistocene to Holocene eruptive history of Pico de Orizaba can be divided into 11 eurptive episodes. Each eruptive episode lasted several hundred years, the longest recorded being about 1000 years (the Xilomich episode). Intervals of dormancy range from millenia during the late Pleistocene to about 500 years, the shortest interval recorded in the Holocene. This difference could reflect either changes in the volcano's activity or that the older stratigraphic record is less complete than the younger. Eruptive mechanisms during the late Pleistocene were characterized by dome extrusions, lava flows and ash-and-scoria-flow generating eruptive columns. However, in Holocene time plinian activity became increasingly important. The increase in dacitic plinian eruptions over time is related to increased volumes of dacitic magma beneath Pico de Orizaba. We suggest that the magma reservoir under Pico de Orizaba is stratified. The last eruptive episode, which lasted from about 690 years bp until ad 1687, was initiated by a dacitic plinian eruption and was followed by effusive lava-forming eruptions. For the last 5,000 years the activity of the volcano has been gradually evolving towards such a trend, underlining the increasing importance of dacitic magma and stratification of the magma reservoir. Independent observations of Pico de Orizaba's glacier early this century indicate that some increase in volcanic activity occurred between 1906 and 1947, and that it was probably fumarolic.
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  • 69
    ISSN: 1432-0819
    Keywords: Key words Ruapehu ; Tufa Trig Formation ; Holocene ; Tephra ; Hydrovolcanic ; Pyroclast morphology ; Crater Lake ; Marker beds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract  Tufa Trig Formation comprises a sequence of at least 19 andesitic tephras erupted from Mt. Ruapehu (Tongariro Volcanic Centre, New Zealand). Tephras of Tufa Trig Formation are the most recent eruptives from Ruapehu, dated between ca. 1850 years B.P. and the present. Members of the Formation show restricted dispersals, principally to the east of Mt. Ruapehu. Volumes calculated for the most widespread members are all less than 0.1 km3. Compared with other Mt. Ruapehu eruptives, Tufa Trig Formation tephras represent small eruptions that have contributed little tephra to the ring plain. They do, however, show a greater frequency of eruption with one event occurring on average every 100 years. Tufa Trig Formation members Tf3–Tf18 are black to dark grey, vitric, coarse-ash and lapilli-grade tephras which mantle the relief. They contain juvenile vitric particles which exhibit varying degrees of vesicularity, together with free crystals of pyroxene and feldspar, and few lithic fragments. Several morphological types of vitric pyroclasts are recognised in these tephras, the dominant type being of equant blocky morphology with fracture-bound surfaces (type-1 morphology). Field characteristics, tephra distributions, and the morphologies and textures of constituent pyroclasts suggest that these members (Tf3–Tf18) are the products of small-volume hydrovolcanic eruptions resulting from the interaction of fresh magma and meteoric water. We propose that a source of this water was an ancestral crater lake which formed within the late Holocene ca. 3000 years B.P. The morphological, compositional, and chemical (major-element) characteristics of three Tufa Trig Formation Tephras are compared with those of two new tephras erupted from Ruapehu Volcano during the October 1995 eruptions which comprise part of a newly defined member (Tf19) of Tufa Trig Formation. The comparisons support our interpretation that the majority of the Tufa Trig Formation tephras are primarily the products of hydrovolcanic eruptions. Other members of the Formation (Tf1 and Tf2) are coarse-grained scoriaceous tephras and are interpreted to be the products of strombolian events.
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    Coral reefs 17 (1998), S. 235-248 
    ISSN: 1432-0975
    Keywords: Key words Atoll ; Pleistocene ; Holocene ; Emergence ; Radiometric dating ; Christmas Island
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract  Christmas (Kiritimati) Island is an unusually large coral atoll, of which a large proportion of the surface is presently subaerial. Extensive outcrops of in situ branching Acropora corals, together with Porites microatolls, Tridacna, and other shallow marine biota, indicate that the present low-lying area of interconnecting lakes in the island interior formed as a reticulate lagoon. Radiocarbon dating indicates that these lagoonal reefs flourished between 4500 and 1500 radiocarbon years BP, and surveying confirms that sea level was 0.5–1.0 m above present at that time, with subaerial exposure resulting from Late Holocene emergence. Boreholes undertaken for a water resources survey of the island penetrated near-surface Pleistocene limestones on the northern, southern, and eastern sides of the island. These are highly weathered and fractured, and although aragonitic clasts are preserved, U-series dating indicates a Middle Pleistocene or older age. At one location flanking the Bay of Wrecks, an outcrop of limestone, with an erosional notch, 1–2 m above present sea level, yielded a U-series age of 130 ka, and is interpreted as Last Interglacial in age. In contrast to previous interpretations which have suggested that Christmas Island comprised an atoll superstructure that is entirely Holocene, or the layer-cake interpretation appropriate for many mid-ocean atolls, Christmas Island appears to have had a form similar to its present in the Middle Pleistocene or earlier. It has undergone karstification during lowstands. Interglacials, particularly the Last Interglacial and the Holocene, appear to have resulted in only a minor veneer of coral over older limestone surfaces. Christmas Island is considered characteristic of an atoll that has not experienced significant subsidence through the Late Quaternary.
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    Coral reefs 17 (1998), S. 155-168 
    ISSN: 1432-0975
    Keywords: Key words Atoll hydrodynamics ; Lagoon ciculation ; Wave transformation ; Currents ; Physical processes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract  Detailed measurements of water levels, and tide and wave-induced currents were undertaken to examine physical processes and their relationship with morphology in the Cocos (Keeling) Islands, a medium sized atoll in the Indian Ocean. Results indicate that the atoll structure controls both lagoon circulation and the spatial pattern of energy distribution. Lagoon circulation is tide dominated (currents 16–31 cms-1) with flushing (2–5 days) of the lagoon occurring through the deep leeward passages. Wave- and tide-driven unidirectional flows through shallow passages (26–65 cms-1) are important mechanisms of ocean to lagoon water exchange and contribute up to 24% of the lagoon neap tide prism. Reef flats are dominated by wave energy (maximum velocity 140 cms-1, east) with measurements of the attenuation of wave energy between reef flats and shallow lagoon (80–90%) conforming to measurements from fringing and barrier reefs. Spectral analysis shows that the characteristics of wave energy vary on different sectors of the atoll, with gravity wave energy dominating the east, and infragravity wave energy dominating the southern reef flat and passages. Wave setup at the reef crest is considered to be responsible for an identified 0.1 m higher water level in the southern as opposed to eastern and northern atoll, which promotes higher reef flat growth. Transmission of gravity waves across reef flats requires threshold water depths of 0.65 (east) and 0.70 m (south). The higher southern reef is an effective filter of gravity wave energy for most tidal elevations. Differences in the type and magnitude of physical processes within the atoll are discussed with relation to geomorphic development on Cocos.
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    International journal of earth sciences 84 (1995), S. 213-219 
    ISSN: 1437-3262
    Keywords: Sediments ; Varves ; Tephra layers ; Radiocarbon dating ; Geochemistry ; Palaeomagnetics Volcanism ; Holocene ; Westeifel (Germany)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract A minerogeniclayer occurs in early postglacial organic sediments from five maar lakes (West Eifel Volcanic Field, Germany). The mineralogy and stratigraphic position of this tephra suggests that it is related to the youngest German volcano, Ulmener Maar, nearby. Radiocarbon dating of wood from the base of the Ulmener Maar Tephra at two locations provide ages in agreement with an accelerator mass spectrometer 14C date for the minerogenic layer from sediments of Lake Holzmaar situated 13 km south-west of Ulmener Maar. The mean radiocarbon age is 9 560 years BP. Dating by varve chronology provides an age of 10017 years VT (varve time in years before 1950) or 10 895 years corrected VT. Based on palynology the Ulmener Maar Tephra was deposited at the end of the Preboreal. High values of natural remnant magnetization intensity, typical of pyroclastic material, confirm that this minerogenic layer differs in composition from other clastic deposits of the sedimentary record. Geochemical analyses reveal increased values of total trace elements for the Laacher See Tephra and Ulmener Maar Tephra. An isopach map based on thickness variations of the Ulmener Maar Tephra at five investigated maar lakes indicates that the tephra was mainly transported to the south west.
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    International journal of earth sciences 88 (2000), S. 742-751 
    ISSN: 1437-3262
    Keywords: Key words African monsoon ; Corals ; Holocene ; Northern Red Sea ; Stable isotopes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract We present a study based on X-ray chronologies and the stable isotopic composition of fossil Porites spp. corals from the northern Gulf of Aqaba (Red Sea) covering the mid-Holocene period from 5750 to 4450 14C years BP (before present). The stable oxygen and carbon isotopic compositions of five specimens reveal regular annual periodicities. Compared with modern Porites spp. from the same environment, the average seasonal δ 18O amplitude of the fossil corals is higher (by ca. 0.35–0.60‰), whereas annual growth rates are lower (by ca. 3.5 to 2 mm/year). This suggests stronger seasonality of sea surface temperatures and increased variability of the oxygen isotopic composition of the sea water due to changes in the precipitation and evaporation regime during the mid-Holocene. Most likely, summer monsoon rains reached the northern end of the Red Sea at that time. Average annual coral growth rates are diminished probably due to an increased input and resuspension of terrestrial debris to the shallow marine environment during more humid conditions. Our results corroborate published reports of paleodata and model simulations suggesting a northward migration of the African monsoon giving rise to increased seasonalities during the mid-Holocene over northeastern Africa and Arabia.
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    Journal of paleolimnology 10 (1994), S. 129-139 
    ISSN: 1573-0417
    Keywords: Baffin Island ; diatom stratigraphy ; Wisconsinan ; Holocene ; correspondence analysis ; glacial refugium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Diatom analyses from the longest continuous record of lacustrine sedimentation in the eastern Canadian Arctic indicate four phases of lake development during the past 20000 years. PlanktonicAulacoseira taxa are dominant between 20 and 10 ka and during the Neoglacial. The earliest Holocene is characterized byFragilaria, whereas benthic acidophils (e.g.Frustulia, Brachysira & Eunotia spp.) dominate sediments of early to mid Holocene age. Ordination by correspondence analysis illustrates stratigraphic changes in diatom life form and pH tolerances, and these are related to both regional paleoclimatic conditions and local edaphic factors. The occurrences of planktonic floras during the cold Late Foxe and Neoglacial periods suggests that, even at these times, the lake became ice free during summer. The interplay of increased runoff as a mechanism of ice disintegration and enhanced silicon supply by erosional processes (corroborated by the more clastic nature of the sediments during these periods) likely enabledAulacoseira to flourish. Early and mid Holocene limnological regimes were more strongly controlled by lake authigenic processes.
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  • 75
    ISSN: 1573-0417
    Keywords: Great Basin ; climatic variations ; productivity ; organic matter ; nitrogen ; phosphorus ; hardwater lake
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Sediment cores from the shallow and deep basins of Pyramid Lake, Nevada, revealed variations in composition with depth reflecting changes in lake level, river inflow, and lake productivity. Recent sediments from the period of historical record indicate: (1) CaCO3 and organic content of sediment in the shallow basin decrease at lower lake level, (2) CaCO3 content of deep basin sediments increases when lake level decreases rapidly, and (3) the inorganic P content of sediments increases with decreasing lake volume. Variations in sediment composition also indicate several periods for which productivity in Pyramid Lake may have been elevated over the past 1000 years. Our data provide strong evidence for increased productivity during the first half of the 20th Century, although the typical pattern for cultural eutrophication was not observed. The organic content of sediments also suggests periods of increased productivity in the lake prior to the discovery and development of the region by white settlers. Indeed, a broad peak in organic fractions during the 1800's originates as an increase starting around 1600. However, periods of changing organic content of sediments also correspond to periods when inflow to the lake was probably at extremes (e.g. drought or flood) indicating that fluctuations in river inflow may be an important factor affecting sediment composition in Pyramid Lake.
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  • 76
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    Journal of paleolimnology 12 (1994), S. 269-282 
    ISSN: 1573-0417
    Keywords: Great Plains ; western Canada ; magnesian calcite ; Holocene ; paleolimnology ; stable isotopes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Lake Manitoba, the largest lake in the Prairie region of North America, contains a fine-grained sequence of late Pleistocene and Holocene sediment that documents a complex postglacial history. This record indicates that differential isostatic rebound and changing climate have interacted with varying drainage basin size and hydrologic budget to create significant variations in lake level and limnological conditions. During the initial depositional period in the basin, the Lake Agassiz phase (∼12–9 ka), δ18O of ostracodes ranged from −16‰ to −5‰ (PDB), implying the lake was variously dominated by cold, dilute glacial meltwater and warm to cold, slightly saline water.Candona subtriangulata, which prefers cold, dilute water, dominates the most negative δ18O intervals, when the basin was part of proglacial Lake Agassiz. At times during this early phase, the δ18O of the lake abruptly shifted to higher values; euryhaline taxa such asC. rawsoni orLimnocythere ceriotuberosa, and halobiont taxa such asL. staplini orL. sappaensis are dominant in these intervals. This positive covariance of isotope and ostracode records implies that the lake level episodically fell, isolating the Lake Manitoba basin from the main glacial lake. δ18O values from inorganic endogenic Mg-calcite in the post-Agassiz phase of Lake Manitoba trend from −4‰ at 8 ka to −11‰ at 4.5 ka. We interpret that this trend indicates a gradually increasing influence of isotopically low (−20‰ SMOW) Paleozoic groundwater inflow, although periods of increased evaporation during this time may account for zones of less negative isotopic values. The δ18O of this inorganic calcite abruptly shifts to higher values (−6‰) after ∼4.5 ka due to the combined effects of increased evaporative enrichment in a closed basin lake and the increased contribution of isotopically high surface water inflow on the hydrologic budget. After ∼2 ka, the δ18O of the Mg-calcite fluctuates between −13‰ and −7‰, implying short-term variability in the lake's hydrologic budget, with values indicating the lake varied from outflow-dominated to evaporation-dominated. The δ13C values of Mg-calcite remain nearly constant from 8 to 4.5 ka and then trend to higher values upward in the section. This pattern suggests primary productivity in the lake was initially constant but gradually increased after 4.5 ka.
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  • 77
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    Journal of paleolimnology 13 (1995), S. 51-63 
    ISSN: 1573-0417
    Keywords: acidification ; England ; Holocene ; Lake District ; paleolimnology ; testate amoebae
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Tests of testate amoebae extracted from samples of bottom sediments from 33 tarns in the English Lake District reveal a relationship between their distribution and physical-chemical parameters of the tarn waters.Nebela and several species ofDifflugia appear to prefer more acidic conditions, i.e., pH less than 6.2, while others such asCentropyxis, Lesquereusia and some species ofCyclopyxis andDifflugia are more common in lakes with pH's above that value. Using these data, and inferring rates of sedimentation from the densities of tests found in a 6-m core, a paleolimnological history for the past 11 000 years is presented for Ullswater (English Lake District). The record of testate amoebae, beginning shortly after deglaciation, depicts an uneven increase in acidity and a history of episodes of rapid and slow deposition that correlate reasonably well with paleoclimatological changes and anthropogenic alterations in the catchment.
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  • 78
    ISSN: 1573-0417
    Keywords: Atacama ; Holocene ; limnogeology ; South America ; paleoclimatology ; lake sediments
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Sedimentological, mineralogical and geochemical analyses of sediment cores from 9 m-deep, saline Laguna Miscanti, Chile (23 ° 44′S, 67 °46′W, 4140 m a.s.l.) together with high-resolution seismic profiles provide a mid to late Holocene time series of regional environmental change in the Atacama Altiplano constrained by 210Pb and conventional 14C dating. The mid Holocene was the most arid interval since the last glacial maximum, as documented by subaerial exposure and formation of hardgrounds on a playa surface. Extremely low lake levels during the mid Holocene appear consistent with lower effective moisture recorded at other sites along the Altiplano and in the Amazon Basin. Termination of this arid period represented a major shift in the regional environmental dynamics and inaugurated modern atmospheric conditions. The cores show a progressive upward increase in effective moisture interrupted by numerous century-scale drier periods of various intensities and durations that characterize a fluctuating late Holocene climate. In spite of chronological uncertainties, the major environmental changes seem to correlate with the available paleorecords from the region providing a coherent account of effective moisture variability in the tropical highlands of South America.
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  • 79
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    Journal of paleolimnology 14 (1995), S. 281-296 
    ISSN: 1573-0417
    Keywords: Midwestern Unites States ; Stable Isotopes ; Ostracodes ; Holocene ; Paleoclimate ; Lake
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Stable oxygen and carbon isotope geochemistry of ostracode valves, abundance and assemblages of ostracode species, and sedimentological parameters from cores taken in Williams and Shingobee Lakes in north-central Minnesota show changes in climatic and hydrologic history during the Holocene. Isotopic records are consistent with the following scenario: Before 9800 yr B.P. the two lakes were connected. Increasing evaporation through the jack/red pine period (9800-7700 yr B.P.) led to lower lake levels, leaving small separated basins. The prairie period (7700-4000 yr B.P.) reflects high aridity, and lake levels reached low stands shortly before 6500 yr B.P. Low lake levels are associated with groundwater discharge between 6500 and 6000 yr B.P. The hardwood period (4000-3200 yr B.P.) corresponds to long cold winters and warm to cool summers with lower evaporation rates and slower sedimentation. During the white pine period (〈3200 yr B.P.) evaporation increased and/or precipitation shifted to the summer months. These changes can be related to shifting atmospheric circulation patterns. Zonal flow was probably dominant during the early Holocene until the end of the prairie period (c. 4000 yr B.P.). During the hardwood period a combination of zonal and meridional flow patterns caused long and cold winters and wetter summers. During the white pine period wintners were shorter and the meridional flow pattern more significant. Today meridional flow dominates the circulation pattern.
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  • 80
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    Journal of paleolimnology 16 (1996), S. 323-354 
    ISSN: 1573-0417
    Keywords: diatoms ; chrysophytes ; pollen ; charcoal ; hemlock decline ; Holocene ; Massachusetts
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract We examined the stratigraphic record of North Pond, a small, oligotrophic lake in western Massachusetts, U.S.A. to describe late and post-glacial watershed-lake interactions. In particular we investigated the effects of two similar vegetation changes in the watershed on lake biogeochemistry. There was a transient (about 100 years) decline in hemlock ca. 7500 yr B.P. that has not been recorded in other pollen stratigraphies in the northeast. The second event was the classical hemlock decline that occurred ca. 4800 yr B.P. and lasted about 2000 years. This decline occurred throughout the range of hemlock and is thought to have been caused by a pathogen. As the climate began to warm ca. 10 000 yr B.P., a spruce dominated boreal woodland was established in the watershed. Sediment chemistry data showed that as soils became more acidic, the lake also acidified as evidenced by diatom-inferred (DI) pH. Hemlock was established in the watershed by about 8000 yr B.P. This was accompanied by a slight decrease in DI pH. The transient hemlock decline ca. 7500 yr B.P. was associated with an increase in sedimentary charcoal particles, that suggested fire was responsible for its demise. The diatom stratigraphy indicated a brief, slight, increase in productivity and alkalinity and a brief decrease in lakewater dissolved organic carbon concentrations. Aquatic microfossil data indicated a decrease in the area of the littoral zone ca. 7500 yr B.P. Following the transient decline the lake became more acidic. There were only brief, subtle changes associated with the classical hemlock decline, including a slight decline in DI pH. Although the two disturbances involved a similar vegetation shift, the timing and mechanisms of the disturbances had a greater impact on lake biogeochemistry.
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  • 81
    ISSN: 1573-0417
    Keywords: geochemistry ; Guatemala ; Holocene ; lakesediment ; Maya ; magnetic susceptibility ; paleolimnology ; pollen ; stable isotopes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract We used multiple variables in a sediment core from Lake Peten-Itza, Peten, Guatemala, to infer Holocene climate change and human influence on the regional environment. Multiple proxies including pollen, stable isotope geochemistry, elemental composition, and magnetic susceptibility in samples from the same core allow differentiation of natural versus anthropogenic environmental changes. Core chronology is based on AMS 14C measurement of terrestrial wood and charcoal and thus avoids the vagaries of hard-water-lake error. During the earliest Holocene, prior to ∼9000 14C yr BP, the coring site was not covered by water and all proxies suggest that climatic conditions were relatively dry. Water covered the coring site by ∼9000 14C yr BP, coinciding with filling of other lakes in Peten and farther north on the Yucatan Peninsula. During the early Holocene (∼9000 to ∼6800 14C yr BP), pollen data suggest moist conditions, but high δ 18O values are indicative of relatively high E/P. This apparent discrepancy may be due to a greater fractional loss of the lake's water budget to evaporation during the early stages of lake filling. Nonetheless, conditions were moist enough to support semi-deciduous lowland forest. Decrease in δ 18O values and associated change in ostracod species at ∼6800 14C yr BP suggest a transition to even moister conditions. Decline in lowland forest taxa beginning ∼5780 14C yr BP may indicate early human disturbance. By ∼2800 14C yr BP, Maya impact on the environment is documented by accelerated forest clearance and associated soil erosion. Multiple proxies indicate forest recovery and soil stabilization beginning ∼1100 to 1000 14C yr BP, following the collapse of Classic Maya civilization.
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  • 82
    ISSN: 1573-0417
    Keywords: northern Sweden ; stable carbon isotopes ; carbon isotope fractionation ; limnic sediments ; Holocene ; lake
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract A 9000-year carbonate-rich sediment sequence from a small hard-water lake in northernmost Sweden was studied by means of multi-component stable carbon isotope analysis. Radiocarbon dating of different sediment fractions provides chronologic control and reveals a rather constant hard-water effect through time, suggesting that the lake has remained hydrologically open throughout the Holocene. Successive depletion of 13C in fine-grained calcite and carbonate shells during the early Holocene correlate with a change in catchment vegetation from pioneer herb communities to boreal forest. The vegetational change and associated soil development likely gave rise to an increased supply of 13C-depleted carbon dioxide in groundwater recharging the lake. This process is therefore believed to be the main cause of decreasing values of δ13C in dissolved inorganic carbon of the lake and thereby in limnic carbonates. Strongly 13C-depleted sedimentary organic matter may be related to enhanced kinetic fractionation during photosynthetic assimilation by means of proton pumping in Characean algae. This interpretation is supported by a substantial offset between δ13C of DIC as recorded by mollusc shells and δ13C of fine-grained calcite.
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  • 83
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    Journal of paleolimnology 19 (1998), S. 265-284 
    ISSN: 1573-0417
    Keywords: Holocene ; lacustrine ; sedimentation ; Lake Winnipeg ; sediment cores ; geochemistry ; mineralogy ; texture
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Two seismic facies were recognized in the sedimentary sequence overlying acoustic basement in Lake Winnipeg. The upper facies, which overlies a regional unconformity, is termed the Lake Winnipeg Sequence. Based on the seismostratigraphy, lithostratigraphy, and radiocarbon dates of approximately 4000 and 7000 yr BP from material collected directly over the unconformity in the southern and northern parts of the lake, respectively, this facies has been interpreted as representing Holocene sedimentation. Results of compositional and textural analyses of the Holocene sediment (Winnipeg sediment) from thirteen long (〉2 m) cores indicate a transgressional sequence throughout the basin. In the South Basin, the generally fining upward sequence is characterized at the base by silt-sized detrital carbonate minerals, quartz and feldspar which decrease in concentration upward. In this basin, the high carbonate content and V/Al and Zn/Al ratios are indicative of a Paleozoic and Cretaceous provenance for sediment derived from glacial deposits through shoreline erosion and fluvial transport, via the Red River. Sedimentation in the central part of the lake and the North Basin is attributed to shoreline erosion of sand and gravel beaches. Consequently, the texture of these sediments is generally coarser than in the South Basin, and the composition primarily reflects a Paleozoic and Precambrian provenance. The basin-wide decrease in Ca, total carbonate minerals, dolomite and calcite concentrations upward in the cores is reflected by a decrease in the detrital carbonate component in all but the most northern cores. Other basin-wide trends show an upward increase in organic content in all cores. An increase in grain size near the top of most cores suggests a major, basin-wide change in sedimentation within the last, approximately 900 years in the South Basin.
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  • 84
    ISSN: 1573-0417
    Keywords: bulk geochemistry ; Holocene ; lacustrine sediments ; paleoenvironments ; paleolimnology ; statistical methods
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract The paper involves detailed geochemical and mineralogical analysis of lacustrine sediments from a 95 cm core profile collected in the closed lake basin of the Laguna de Gallocanta, central Iberian Chain. The environmental and depositional changes are confirmed by: (1) variations in concentrations of SiO2, CaO and P2O5, (2) Fe2O3:MnO-ratios, (3) ς(CaO,MgO):SiO2-ratio, (4) statistical relationship of silica and phosphate content to metallic oxide content, (5) the Mg:Ca-ratio of protodolomites in relation to the position of the diffraction angle of dolomite's major diffraction peak (dol100, and (6) changes in mineralogical composition. Three sedimentary units were identifyed and characterized by their mineralogical and geochemical composition. The deposition of the underlying strata (section 1) occurred under sub-arid conditions. The environment changed to sub-humid conditions during deposition of the sediments in section 2 (post Middle Ages). Increasing aridity influenced the accumulation of the upper sediments (section 3). It is also proven that mineralogical analyses of lacustrine sediments allows mostly conclusions on the limnic environments during deposition. In contrast to this, geochemical features of lacustrine sediments indicate weathering and soil forming processes during deposition and the overall geomorphological system.
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  • 85
    ISSN: 1573-0417
    Keywords: South Sweden ; Holocene ; diatoms ; pollen ; eutrophication ; catchment history
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Diatoms, pollen, physical and magnetic analyses of the sediments have been used to reconstruct the development over the last 6000 years of Lake Bussjösjön, a small lake in southern Sweden. Stratigraphic variations in a core of more than 15 m reveal changes in diatom assemblages, which correspond closely to changes in pollen, loss-on-ignition, and magnetic measurements that are related to land use and vegetation changes in the catchment. From ca 6000 BP to 2700 BP, a forest surrounded what was then a slightly eutrophic lake. The sudden appearance of Cyclostephanos dubius (Fricke) Round and several epiphytic/epipsammic diatoms at 2700 BP coincides with deforestation of the catchment (2700 BP to 2500 BP). A change in land use from predominantly pasture to arable land from 1300 BP to 1100 BP caused a high level of soil erosion with a decrease of C. dubius and the increase of Stephanodiscus species. An increase of epiphytic/epipsammic species coincides with increased arable farming and the change from a field-rotation to a crop-rotation system, and shows not only an increase in eutrophication but also changes in water depth. The influence of the catchment through time resulted in a smaller, shallower and eutrophic to hypertrophic lake.
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  • 86
    ISSN: 1573-0417
    Keywords: diatoms ; paleolimnology ; palynology ; Holocene ; climate change ; Lake Baikal
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract The biostratigraphy of fossil diatoms contributes important chronologic, paleolimnologic, and paleoclimatic information from Lake Baikal in southeastern Siberia. Diatoms are the dominant and best preserved microfossils in the sediments, and distinctive assemblages and species provide inter-core correlations throughout the basin at millennial to centennial scales, in both high and low sedimentation-rate environments. Distributions of unique species, once dated by radiocarbon, allow diatoms to be used as dating tools for the Holocene history of the lake. Diatom, pollen, and organic geochemical records from site 305, at the foot of the Selenga Delta, provide a history of paleolimnologic and paleoclimatic changes from the late glacial (15 ka) through the Holocene. Before 14 ka diatoms were very rare, probably because excessive turbidity from glacial meltwater entering the lake impeded productivity. Between 14 and 12 ka, lake productivity increased, perhaps as strong winds promoted deep mixing and nutrient regeneration. Pollen evidence suggests a cold shrub — steppe landscape dominated the central Baikal depression at this time. As summer insolation increased, conifers replaced steppe taxa, but diatom productivity declined between 11 and 9 ka perhaps as a result of increased summer turbidity resulting from violent storm runoff entering the lake via short, steep drainages. After 8 ka, drier, but more continental climates prevailed, and the modern diatom flora of Lake Baikal came to prominence. On Academician Ridge, a site of slow sedimentation rates, Holocene diatom assemblages at the top of 10-m cores reappear at deeper levels suggesting that such cores record at least two previous interglacial (or interstadial?) periods. Nevertheless, distinctive species that developed prior to the last glacial period indicate that the dynamics of nutrient cycling in Baikal and the responsible regional climatic environments were not entirely analogous to Holocene conditions. During glacial periods, the deep basin sediments of Lake Baikal are dominated by rapidly deposited clastics entering from large rivers with possibly glaciated headwaters. On the sublacustrine Academician Ridge (depth = 300 m), however, detailed analysis of the diatom biostratigraphy indicates that diastems (hiatuses of minor duration) and (or) highly variable rates of accumulation complicate paleolimnologic and paleoclimatic reconstructions from these records.
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  • 87
    ISSN: 1573-0417
    Keywords: lake-level fluctuations ; sedimentology ; malacology ; palynology ; Holocene ; palaeoclimates
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract The level fluctuations of Lake Ilay, Jura (France) during the last three millennia are reconstructed from sedimentological and malacological analyses of a core that is well-dated by tree-ring, radiocarbon and pollen datings. Changes in sediment facies, in carbonate concretion assemblages and in mollusc assemblages highlight a major lowering phase atc. 1550 BP and minor lowering phases atc. 2800 BP and shortly before AD 1394. Rises in lake level developed during the early Subatlantic and betweenc. 1500 and 1000 BP. These data are in good agreement with other proxy data from higher European and American latitudes. These correlations support the climatic origin of the level fluctuations of the Lake Ilay during the late Holocene. They suggest that the mediaeval climatic optimum is centred rather in the early than the late Middle Age.
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  • 88
    ISSN: 1573-0417
    Keywords: diatoms ; eutrophication ; lake management ; paleolimnology ; British Columbia ; lakes ; phosphorus ; training sets
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Eighteen lakes were added to a published training set of 46 British Columbia (BC) lakes in order to expand the original range of total phosphorus (TP) concentrations. Canonical correspondence analysis (CCA) was used to analyze the relationship between diatom assemblages and environmental variables. Specific conductivity and [TP] each explained significant (P≤0.05) directions of variance in the distribution of the diatoms. The relationship between diatom assemblages and [TP] was sufficiently strong to warrant the development of a weighted-averaging (WA) regression and calibration model that can be used to infer past trophic status from fossil diatom assemblages. The relationship between observed and inferred [TP] was not improved by the addition of more eutrophic lakes, however the [TP] range and the number of taxa used in the transfer function are now superior to the original model. Diatom species assemblages changed very little in lakes with TP concentrations greater than 85 µg 1−1, so we document the development of a model containing lakes with TP≤85 µg 1−1. The updated model uses 59 training lakes and covers a range of species optima from 6 to 41.9 µg 1−1 TP, and a total of 150 diatom taxa. The updated inference model provided a more realistic reconstruction of the anthropogenic history of a highly eutrophic BC lake. The model can now be used to infer past nutrient conditions in other BC lakes in order to assess changes in trophic status.
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  • 89
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    Journal of paleolimnology 14 (1995), S. 253-268 
    ISSN: 1573-0417
    Keywords: Southeast Brazil ; palynology ; Holocene ; cerrado ; fire ; semideciduous forest ; paleoecology ; paleoclimatology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Lago do Pires (17° 57′ S, 42° 13′ W) is situated at 390 m a.s.l. in the foothills of the Serra do Espinhaço, 250 km from the Brazilian Atlantic coast. The original vegetation of the study area has been almost destroyed by pastoral activity. Relicts of a dense 20–30 m tall tropical semidciduous forest are present only on a few hill tops. The dry season of the Lago do Pires region lasts for 4 months and the annual precipitation is 1250 mm. A high resolution pollen record from a 16 m long sediment core, composed of 77 samples, subdivided in 7 zones and 4 subzones, allows a reconstruction of Holocene paleoenvironments. For the early Holocene (9720-8810 B.P.), the results indicate that the region surrounding the lake was dominated by a herb savanna (campo cerrado) withCuratella americana (cerrado tree) and high fire frequency. Species ofCecropia, Urticales and a few others, form small gallery forests along the water courses. This vegetation pattern is consistent with a long dry season (perhaps 6 months) and a low annual precipitation. Between 8810 and 7500 years B.P. gallery forests expanded in the valleys and suggest a period of higher rainfall with shortened dry season (perhaps 5 months). Fire was less frequent. Reduction of gallery forests followed (7500-5530 B.P.), probably related to a return of drier climatic conditions (5–6 months dry season, lower precipitation). Fires were more frequent. Between 5530 and 2780 years B.P. in the vallyes were forests and on the hills still an open cerrado. The dry season probably was about 5 months and the rainfall was higher than in the previous period. Later (2780-970 B.P.) the more open cerrado on the hills changed to more closed cerrado. A dense and closed semideciduous forest existed in the region only in the latest Holocene period (since 970 B.P.) under the current climatic conditions. The vegetation was no longer influenced by fire. A very strong human impact by deforestation and use of fire occurred in the last decades. Today cerrado vegetation is generally restricted to central Brazil and exists in several small isolated ‘Islands’ (Hueck, 1956) in the area of semideciduous forest in SE Brazil which were more widespread during the drier periods of the Holocene. The wettest period of Holocene occurs in the present millenium.
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  • 90
    ISSN: 1573-0417
    Keywords: diatoms ; lake-level ; Middle Atlas ; Morocco ; Holocene ; palaeohydrology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract While palaeohydrological changes in non-outlet lakes provide a key proxy indicator of past climatic fluctuations, for lake systems which have been chemically insensitive, it is necessary to use indicators of water depth rather than salinity to reconstruct their hydro- climatic histories. A study of diatoms in the modern sediments of Sidi Ali, a non-outlet lake in the Middle Atlas of Morocco, has shown a statistically significant correlation between water depth and the ratio of planktonic to littoral diatoms. This relationship is used to calibrate fossil diatom assemblages from a lake sediment core from the same lake to provide a quantitative index of water levels over the pastc. 6500 years. Palaeoecological evidence suggests that climatically induced hydrological variations have dominated the bulk of the mid-late Holocene lake sediment record, with significant human-induced catchment disturbance only occurring during the twentieth century. The pattern of water depth fluctuations suggests that the response time of the regional groundwater system to climatic forcing is 〈100 years.
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  • 91
    ISSN: 1573-0417
    Keywords: paleohydrology ; paleoclimate ; sand dunes ; eolian ; Holocene ; Nebraska
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract As many as 2500 interdune lakes lie within the Nebraska Sand Hills, a 50 000 km stabilized sand sea. The few published data on cores from these lakes indicate they are typically underlain by less than two m of Holocene lacustrine sediments. However, three lakes in the southwestern Sand Hills, Swan, Blue, and Crescent, contain anomalously thick marsh (peat) and lacustrine (gyttja) sediments. Swan Lake basin contains as much as 8 m of peat, which was deposited between about 9000 and 3300 years ago. This peat is conformably overlain by as much as 10.5 m of gyttja. The sediment record in Blue lake, which is 3 km downgradient from Swan lake, dates back to only about 6000 years ago. Less than two m of peat, which was deposited from 6000 to 5000 years ago, is overlain by 12 m of gyttja deposited in the last 4300 years. Crescent Lake basin, one km downgradient from Blue Lake, has a similar sediment history except for a lack of known peat deposits. Recently, a 8-km long segment of a paleovalley was documented running beneath the three lakes and connecting to the head of Blue Creek Valley. Blockage of this paleovalley by dune sand during two arid intervals, one shortly before 10 500 yr BP and one in the mid-Holocene, has resulted in a 25 m rise in the regional water table. This made possible the deposition of organic-rich sediment in all three lakes. Although these lakes, especially Swan, would seem ideal places to look for a nearly complete record of Holocene climatic fluctuations, the paleoclimatic record is confounded by the effect dune dams have on the water table. In Swan Lake, the abrupt conversion from marsh to lacustrine deposition 3300 years ago does not simply record the change to a wetter regional climate; it reflects the complex local hydrologic changes surrounding the emplacement and sealing of dune dams, as well as regional climate.
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  • 92
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    Journal of paleolimnology 18 (1997), S. 15-28 
    ISSN: 1573-0417
    Keywords: plant-macrofossils ; palaeoecology ; water-chemistry ; trophic-status ; water-depth ; lake-level changes ; Holocene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Plant-macrofossil analysis is one of the most useful biostratigraphical methods for the reconstruction of former lake-level changes. The distribution of submerged, floating-leaved and emergent lake-shore vegetation is mainly dependant on water depth, but water chemistry and nutrient status must also be taken into account when interpreting water-level changes. Lake-level studies should be based on the investigation of several littoral cores along a transect perpendicular to the lake-shore. Multiple cores are essential for separating genuine lake-level changes from other processes influencing the plant-macrofossil record. Physical analyses of sediment stratigraphy provide important additional information to the plant-fossil record, because natural infilling processes and erosion from the catchment must be distinguished from climatic events causing a change in the water level. Here we review several important concepts, including suitability of lakes for lake-level study, the degree of detail required in the analysis, and macrofossil records of lake-level changes, and illustrate those concepts by examples from southern Sweden and Minnesota. We discuss how to reconcile alternative hypotheses for the stratigraphic changes seen in the macrofossil assemblages.
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  • 93
    ISSN: 1573-0417
    Keywords: varves ; glacial history ; Canadian Rocky Mountains ; Holocene ; Neoglaciation ; glaciolacustrine sediments
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract A 4450-year sequence of varves, spanning the entire Neoglacialinterval, has been recovered from Hector Lake, Alberta. The varve record is compared to records of regional glacial history toevaluate therelationship between alpine glacial activity and sediment production. Glacial controls on sediment production vary with the timescale considered. Long-term variations in sedimentation rate, of centuries to millennial duration, reflect changes in ice extent of the same timescale. Superimposed on these long-term changes is decadal-scale variability that is complexly related to upvalley ice extent. Over the short term, high sedimentation rates may be associated with glacier maximum stands, or with periods of glacier advance or recession. Overthe last millennium at least, highest sedimentation rates appear to have been associated with transitional periods, preceding or post-dating maximum ice stands, rather than with times of maximum ice extent.
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  • 94
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    Journal of paleolimnology 19 (1998), S. 309-328 
    ISSN: 1573-0417
    Keywords: agglutinated rhizopods ; testate amoebae ; thecamoebians ; Lake Winnipeg ; paleolimnology ; Holocene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Holocene sediments in Lake Winnipeg are expressed in the lower Lake Agassiz sequence which is unconformably overlain by the Lake Winnipeg sequence. Nine sites, covering the North and South basins and the connecting Narrows, were selected for analysis of Holocene changes in thecamoebian faunae. Only the Lake Winnipeg sequence contains thecamoebians. This study indicates that biologic productivity and consequently the type of organic material in the sediments is the main control on thecamoebian taxa in Lake Winnipeg. Other factors controlling the distribution of thecamoebians are water chemistry and turbidity. Inorganic sediment geochemistry and water temperature do not appear to significantly influence the thecamoebian fauna of Lake Winnipeg. Variations in the abundance of key thecamoebian species along a north-south transect divide Lake Winnipeg into three distinct areas. The North Basin has remained relatively unchanged since the retreat of Lake Agassiz as indicated by the domination of Difflugia manicata throughout its history. This species appears to prefer Cyanophyta and diatoms as its food source. In the Narrows harsh conditions created by turbid waters and lack of algal food taxa result in Centropyxis aculeata replacing Difflugia manicata as the dominant species. In the South Basin three thecamoebian assemblages are recognized. Cucurbitella tricuspis, indicative of eutrophic conditions, dominates the most recent sediments of the South Basin. The underlying sediments are characterized by Difflugia globulus. In Lake Winnipeg this species is not a cold climate (arctic) indicator as suggested elsewhere but instead seems to prefer sediments containing green and yellow-green algal material. A Centropyxis-Arcella Assemblage occurs only at the base of the southernmost core where it is indicative of an early phase of hyposaline conditions as developed in shallow pools during the southward transgression of Lake Winnipeg. This study illustrates the usefulness of thecamoebians as paleolimnological indicators. Environmental changes are more significant in the restricted South Basin resulting in distinct thecamoebian assemblages. In contrast, the North Basin provided a stable environment throughout the late Holocene reflected in only subtle faunal changes.
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  • 95
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    Journal of paleolimnology 20 (1998), S. 47-55 
    ISSN: 1573-0417
    Keywords: diatoms ; spatial variability ; canonical correspondence analysis ; lake eutrophication ; transfer functions ; phosphorus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Diatom analyses were undertaken of sediment cores covering a range of water depths in a small eutrophic lake (Lough Augher, Co. Tyrone, N. Ireland). The significance of between-core variability in diatom relative frequency stratigraphy was assessed by Canonical Correspondence Analysis (CCA) where the ordination axes were constrained to external environmental variables (sediment depth, core location coordinates, water depth, effective fetch, distance-from-shore and distance-from-inflow). After the removal of the effect of sediment age by partialling it out, the resultant first two axes from the partial-CCA were significantly correlated with water depth and distance-from-shore, indicating non-uniform diatom stratigraphies across the lake. Despite this variability, all cores show the same succession of species and, therefore, record the eutrophication of the lake. Diatom-inferred total phosphorus (DI-TP) was inferred for six cores using weighted averaging regression and calibration. Apart from considerable differences of DI-TP in surficial sediment samples, there was good between-core repeatability of DI-TP profiles. These data support the use of DI-TP for establishing background nutrient concentrations for lakes, and associated implications for lake restoration schemes using single cores. Comparisons of DI-TP profiles and total diatom accumulation rate data for the individual cores indicate that diatom production peaked prior to the maximum TP concentrations in the lake.
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  • 96
    ISSN: 1573-0417
    Keywords: chironomid ; Holocene ; paleoclimate ; paleolimnology ; treeline ; lake sediment ; British Columbia
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Analysis of the distributions of chironomid (midge) and other dipteran subfossils from two high elevation lake sediment cores in the Cascade Mountains reveals changes in midge communities and inferred climate since the late-glacial. Cabin Lake and 3M Pond are located near treeline in the subalpine Engelmann Spruce/Subalpine Fir biogeoclimatic zone of British Columbia. In Cabin Lake, chironomid head capsule assemblages depict a typical late-glacial community, and three distinct Holocene communities. In Cabin Lake, the late-glacial community is composed of cold-stenothermous taxa dominated by Stictochironomus, Mesocricotopus, Heterotrissocladius, Parakiefferiella nigra, Protanypus and Paracladius, whereas warm water midges are absent or rare, indicating cold conditions. A late-glacial chironomid community was not found in 3M Pond. In both lakes the early Holocene is dominated by a diverse warm-adapted assemblage, corresponding to the warm climatic conditions of the xerothermic period. Cabin Lake's mid-Holocene zone records a decrease in relative abundance of the warm water types and is accompanied by an increase in cold-stenotherms. At 3M Pond this period shows a dramatic loss in diversity of warm-adapted taxa, as the temperate genus Dicrotendipes dominates. This zone corresponds to Hebda's (1995) mesothermic period. Further cooling in the late Holocene (to modern conditions) is inferred from continued reduction of warm water midges and persistence (at Cabin Lake) or appearance (at 3M Pond) of a cold-stenothermal community. This late Holocene cooling is similar in timing to Neoglacial advances in the Coast, Cascade, and Rocky Mountains of southern British Columbia. Similarities in the timing of chironomid and vegetation community changes at these high elevation sites, along with the more rapid response time of the Chironomidae, support the sensitivity of midges to postglacial climatic change at high elevation sites.
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  • 97
    ISSN: 1573-0417
    Keywords: Holocene ; Nigeria ; Ostracoda ; palaeoecology ; Sahel
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract The ostracod record from Kajemarum Oasis in the Sahel zone of Northeastern Nigeria covers the last c. 4000 cal. years of a 5500 cal. year lake-sediment sequence. The first appearance of ostracods, around 4000 cal. yr BP, reflects the switch from a very dilute lake during the mid-Holocene, to slightly oligosaline conditions that favoured the occurrence and preservation of ostracods. Between 3800 and 3100 cal. yr BP, the lake remained permanent and fresh or slightly oligosaline, with a Ca-Mg-HCO3 composition. A rise in salinity c. 3100 cal. yr BP, accompanied by a change to more variable conditions on a seasonal to interannual timescale, led to the influx of more-euryhaline taxa. Oligosaline conditions continued between 3100 and 1500 cal. yr BP. Around 1500 cal. yr BP, there was a sharp rise in salinity, probably accompanied by a shift to Na-CO3-type water, with marked seasonal and interannual variability. Salinity decreased after 900 cal. yr BP, although short-term variations were marked between 900 cal. yr BP and the top of the sequence, 95 cal. yr BP. Changes in the species assemblages and ostracod abundance were a response to climate-driven variations in the seasonal and interannual stability of the lake, together with changes in its salinity and solute composition, but there is no simple relationship between ostracod faunas and salinity. Within Kajemarum, there is no evidence of ostracod assemblages typical of deep, fresh water, nor of hypersaline Na-Cl waters. The sediments associated with the freshest waters at Kajemarum did not favour ostracod preservation, and the driest climatic conditions were associated with oligosaline to mesosaline water of Na-CO3-type. The species-poor assemblages reflect the short-term instability of the lake, coupled with the limited opportunities for the colonisation of this isolated basin.
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  • 98
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    Journal of paleolimnology 20 (1998), S. 353-368 
    ISSN: 1573-0417
    Keywords: Argentina ; Holocene ; paleolimnology ; diatom assemblages ; paleoclimatology ; paleoenvironments ; brackish water
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract We present a climatic reconstruction of Holocene lacustrine episodes in the Salinas del Bebedero basin (Argentina), based on geological and diatom information. Morphological, sedimentological and diatom evidence between 11600 ± 140 yr BP and 325 ± 95 yr BP, allowed us to interpret the paleoenvironments of the basin. Episodes of high energy (sandy levels) are linked to large inflow of meltwater through the Desaguadero River, related to development of glaciers on the Andes. This inflow is characterized by peaks of relative abundance of the brackish water diatom Cyclotella choctawatcheeana Prasad. The values of C. choctawatcheeana decrease in deposits of low energy (clay levels), where it co-dominates with oligohalobous Fragilaria and Epithemia spp. To the last two peaks of large inflow of meltwater, radiocarbon dates corrected to sidereal ages, are AD 1280/1420 and AD 1443/1656. These ages agree with two cold episodes clearly recorded in dendrological studies from the Patagonian Andes and were correlated to the Little Ice Age. Thus, older Holocene episodes of large inflow of water to the basin were correlated with the Neoglacial Advances defined by Mercer (1976) for the Andes.
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  • 99
    ISSN: 1573-0417
    Keywords: calcite ; ostracodes ; climate ; stable isotopes ; Lake Neuchåtel ; Switzerland ; Little Ice Age ; Holocene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Lake Neuchåtel is a medium sized, hard-water lake, lacking varved sediments, situated in the western Swiss Lowlands at the foot of the Jura Mountains. Stable isotope data (δ18O and δ13C) from both bulk carbonate and ostracode calcite in an 81 cm long, radiocarbon-dated sediment core represent the last 1500 years of Lake Neuchåtel's environmental history. Comparison between this isotopic and other palaeolimnologic data (mineralogical, geochemical, palynological, etc.) helps to differentiate between anthropogenic and natural factors most recently affecting the lake. An increase in lacustrine productivity (450–650AD ca), inferred from the positive trend in δ13C values of bulk carbonate, is related to medieval forest clearances and the associated nutrient budget changes. A negative trend in both the bulk carbonate and ostracode calcite δ18O values between approximately 1300 and 1500AD, is tentatively interpreted as due to a cooling in mean air temperature at the transition from the Medieval Warm Period to the Little Ice Age. Negative trends in bulk carbonate δ18O and δ13C values through the uppermost sediments, which have no equivalent in ostracode calcite isotopic values, are concomitant with the recent onset of eutrophication in the lake. Isotopic disequilibrium during calcite precipitation, probably due to kinetic factors in periods of high productivity is postulated as the mechanism to explain the associated negative isotopic trends, although the effect of a shift of the calcite precipitation towards the warmer months cannot be excluded.
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  • 100
    ISSN: 1573-0417
    Keywords: ostracodes ; environmental change ; Holocene ; northern Great Plains ; Saskatchewan ; paleolimnology ; Canada
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Geosciences
    Notes: Abstract Holocene paleoenvironments of Harris Lake, southwestern Saskatchewan, are reconstructed from the ostracode stratigraphy of a 10.4 m sediment core. Twenty three taxa, representing nine genera, were identified and counted from 113 samples. At each depth, a theoretical faunal assemblage was derived from the raw counts. The mean and variance of chemical, climatic and physical variables were inferred from modern analogues of the fossil assemblages, using existing autecological data from 6720 sites, mostly in western Canada. These data suggest four paleoenvironments: an early-Holocene (9240–6400 years BP) variable climate supporting aspen parkland vegetation; the warm dry hypsithermal (6400–4500 years BP); a short transitional period of ameliorating climate and expanding subboreal forest (4500–3600 years BP); and the present environment since 3600 years BP. A change in regional climate with the draining of Glacial Lake Agassiz (ca. 8500 years BP) and landsliding in the watershed (ca. 4000 years BP) caused relatively rapid environmental change. The ostracode record generally corroborates the interpretations of other proxy data previously published for Harris Lake. Most of the discrepancy involves the timing and severity of maximum Holocene warmth and aridity. Peak aridity interpreted from the pollen data is earlier than in the other proxy records. Both the diatoms and ostracodes indicate highest paleosalinity between ca. 6500 and 5000 years BP, but maximum salinity in the diatom record occurs between ca. 6000–5700 years BP, whereas the ostracode-inferred salinity is relatively low at this time and peaks later at ca. 5000 years. Neither of these reconstructions suggests the short episodes of hypersalinity interpreted from the mineralogy.
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