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  • Articles  (3,180)
  • Springer  (2,638)
  • Cambridge University Press  (542)
  • American Chemical Society (ACS)
  • 2020-2024
  • 1980-1984  (3,180)
  • 1935-1939
  • 1982  (3,180)
  • Geosciences  (3,180)
Collection
  • Articles  (3,180)
Years
  • 2020-2024
  • 1980-1984  (3,180)
  • 1935-1939
Year
Journal
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 12 (1982), S. 129-142 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Physical data are given for the two polymorphs, ancylite type (A-type) and bastnaesite type (B-type), of the rare-earth hydroxycarbonates [Ln(OH)CO3]. They include infrared absorption spectra and, in the case of neodymium electronic absorption spectra for the 4f 3 configuration recorded at 4 K. From the spectra one concludes that the rare-earth ion largely occupies a single site for both compounds. The OH infrared bands are very sharp. The optical data are compared with the results of structural investigations.
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  • 2
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of [(C6H5)3C3CO](C10H8N2)(CO)2MoBr·C6H6 has been determined. The complex crystallizes in the triclinic space groupP ¯1 witha=8.52(1),b=19.42(3),c=10.54(1) Å, α=97.4(1), β=74.6(1), and γ=87.5(1)°. There are two formula units per cell. A total of 2924 unique observed reflections was collected photographically using CuKα radiation. The structure was refined toR=0.072. The molybdenum atom in this compound can be considered as situated at the center of a very distorted octahedron. The six coordination sites about the metal atom are occupied by two carbonyl groups which share with the bipyridyl the four equatorial positions. The bromine and a π-bonded keto-triphenylcyclobutenyl ring take up the two axial positions. There is an η3 interaction between the cyclobutenyl ring and the molybdenum atom. The detailed geometry of the 1-keto-2,3,4-triphenylcyclobutenyl ligand is similar to that found by Coffey (1962) in a cobalt complex. In the present compound the cyclobutenyl ring is slightly puckered with a dihedral angle of 11.05° between the plane which contains the allylic carbon atoms and that containing the ketonic group. Two solvating benzene molecules are centered at the inversion sites in the unit cell.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 12 (1982), S. 143-155 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The 4.2 K optical absorption spectra of Ia-(NdO)2CO3 and II-(NdO)2CO3 are reported. Type Ia exhibits, apparently, a single site for neodymium, and type II, at least two sites. Electron-diffraction patterns obtained from flakes suggest a large orthorhombic unit cell for type Ia and confirm the hexagonal symmetry of the unit cell of type II.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 12 (1982), S. 99-127 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract LiMgPO4 is orthorhombic, space groupPnma,a=10.147(2),b=5.909(2),c=4.692(2)×10−10 m,D m =3000(8),D x =2980 kg m−3,Z=4,R=4.8% for 1262 observed reflections. The structure contains tetrahedral PO4 and octahedral LiO6 and MgO6 groups. It belongs to the ordered olivine-type structures, since the inversion site is occupied by Li+ ions and the mirror site is taken by Mg2+ ions. The distortion of polyhedra is caused mainly by the adjustment stresses between the different polyhedral dimensions and by the sharing of edges. Octahedral LiO6 share six and MgO6 share three common edges. The sharing of the O-O edges contributes to the stability of the bridging arrangements . The corresponding average distances of the O-O bridges are 2.432, 2.479, 2.883, and 3.028×10−10 m, while the average O-O distances in the PO4, MgO6, and LiO4 polyhedra are 2.512,2.921, and 3.015 × 10−10 m, close to the ideal values 2.531, 2.970, and 3.026×10−10 m respectively. The structure field of the olivine-type compounds plotted as a function of ionic radii in radius space is specified in relation to theβ-K2SO4, spinel, and K4NiF4 type structures. From the overlap of the structure fields, the high-pressure transformations of the olivine compounds are considered.
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 12 (1982), S. 171-189 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The effects on the conformation of steroids owing to substituents at C (17) and other atoms of the five-membered (D) ring are studied and parametrized.
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 12 (1982), S. 331-342 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of 2,2′-bis-1,3-dithiole dimethyl dicyanofumarate has been determined from a single-crystal X-ray study. The compound crystallizes in the monoclinic space groupP21/c with two complexes per unit cell of dimensionsa=11.075(2)Å,b=11.615(3)Å,c=6.623(4)Å, α=γ=90.0°,β=95.7(16)°, andV=847.6(9)Å3. The observed and calculated densities are 1.56 and 1.57 g cm−3 respectively. Full-matrix least-squares refinement using 404 reflections having 4°⩽2θ⩽50° andI⩾3σ(I) converged atR=0.0492 andR w =0.0614. Structural parameters in bond lengths and bond angles do not change to any observable extent when comparing the parent molecules to the complexed state. AnOrtep view along thec-axis shows the units to be arranged in segregated parallel stacks with a distance of 3.31 Å between layers.
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 12 (1982), S. 343-350 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystals of the title compound belong to space groupP¯1, withZ=1. TheK + ions and the acidic protons occupy centers of symmetry. This and the very short O⋯O distance of 2.430 (9) Å classify the compound as a typeA acid salt. The infrared spectrum shows the υ s OHO band near 800 cm−1 with remarkably good definition at −170°C.
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  • 8
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The X-ray crystal structures of two bicyclic diketones have been determined. 3,3,6,6-Tetramethylbicyclo[2.2.1]heptane-2,5-dione, C11H16O2 (A), is monoclinic,C2/c (No. 15), with cell dimensionsa=9.071(3),b=9.748(5),c=12.322(6)Å,β=110.15(3)°, andZ=4. The structure was determined by direct methods and refined toR 1=0.065,R 2=0.052 for 570 reflections. 6,6-Dibromo-1,3,3-trimethylbicyclo[2.2.2]octane-2,5-dione, C11H14Br2O2 (D), is orthorhombic,Pcab, (No. 61), with cell dimensionsa=11.206(3),b=18.818(6),c=11.695(4) Å, andZ=8. The structure was solved by the heavy-atom method and refined toR 1=0.070,R 2=0.065 for 1210 reflections. Bond lengths and angles within both structures do not differ from those in similar structures. The opening up of the internal ring angle of the ketone inA (vs. a normal bicyclo[2.2.1]heptane) and the consequent decrease of the adjacent internal ring angle brings the ketone carbon atoms nearer to the hydrogen atoms of the bridging methylene group.
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 12 (1982), S. 369-376 
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of sulfamerazine, C11H12N4O2S, a very important sulfonamide drug, has been solved by direct methods with X-ray diffraction data collected using CuKα radiation. The crystals are orthorhombic, witha=9.145(1),b=11.704(1),c=22.884(2) Å and space groupPbca. The structure was refined with 2082 observed independent reflections, measured on a CAD-4 diffractometer, to a finalR value of 0.078. The molecule has similar conformational features to those observed in other sulfonamide drugs.
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  • 10
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of the title compounds have been determined as part of an investigation into the factors which may influence the solid-state reactivity of benzylidene cyclopentanones. Thep-methyl derivative, which is photoactive in the crystalline state, in monoclinic:P21/c,a=18.381(2),b=11.209(2),c=8.285(2) Å,β=94.46(12)°, andz=4. The chloro derivative, which is photostable, is also monoclinic:P21/c,a=17.522(4),b=7.906(2),c=11.888(2) Å,β=91.19(14)°, andz=4. The structures were solved and developed via the heavy-atom method and refined by least-squares to finalR values of 0.062 and 0.061, respectively, using 1902 and 2356 observed reflections measured using an automatic diffractometer. The conformations of the two molecules in their crystal structures are significantly different and lead to dissimilar packing arrangements, which clearly account for the different photochemical behaviors.
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