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  • 1
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure of N-(2-morpholinoethyl)-2-oximato-1-phenylpropan-1-iminechloropalladium(II) (1986)
    Springer
    Journal of chemical crystallography 16 (1986), S. 597-606 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure ofN-(2-morpholinoethyl)-2-oximato-1-phenylpropan-1-iminechloropalladium(II), [Pd(L)Cl], has been determined from X-ray data collected by counter methods. The compound crystallizes in the orthorhombic space groupPna21 with four molecules per unit cell, the dimensions of which area=9.602(2),b=8.150(1),c=21.181(4) Å. Full matrix least-squares refinement gave a finalR value of 0.042 for the 3218 independent observed reflections. The oxime ligand is deprotonated and is acting as a tridentate ligand coordinating to the palladium through the oxime nitrogen, the imine nitrogen, and the tertiary amine nitrogen of the morpholine moiety. To complete four-coordination about the palladium atom, a chloride ion is also attached to the central metal atom. The donor atoms plus the palladium atom are planar.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01161047
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  • 2
    Electronic Resource
    Electronic Resource
    Crystal structure of trinuclear trans-μ3-oxo-tris{bischloroacetatoaquochromium(III)}chloroacetate dihydrate, [Cr3O(ClCH2COO)63H2O]ClCH2COO·2H2O (1993)
    Springer
    Journal of chemical crystallography 23 (1993), S. 13-18 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of trans-μ 3-oxotris{bischloroacetatoaquochromium(III)}chloroacetate dihydrate consists of three octahedrally coordinated chromium atoms in the same plane linked axially to an oxygen atom in the center. The other axial positions are coordinated to water molecules. The anions and water of crystallization are involved in forming a three-dimensional hydrogen bonding array. Crystals of [Cr3O(ClCH2COO)63H2O)]+ ClCH2COO−·2H2O,M r =916.53, are prismatic in theP21/n space group witha=10.909(4),b=14.153(4),c=22.082(9) Å,β=102.67(3)°,V=3326(4) Å3, andZ=4.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01161281
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  • 3
    Electronic Resource
    Electronic Resource
    A new class of flexible energetic salts, part 2: The crystal structures of the cubane-1,4-diammonium dinitramide and cubane-1,2,4,7-tetraammonium dinitramide salts (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 95-104 
    Details
    ISSN: 1572-8854
    Keywords: Cubane structures ; substituted cubanes ; cubane ammonium salts ; dinitramide salts
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of cubane-1,4-diammonium dinitramide, 1, and cubane-1,2,4,7-tetraammonium dinitramide, 2, have been determined. 1 crystallizes in the space group P21/c with cell dimensions a = 6.018(2), b = 11.642(3), c = 9.754(3) Å, β = 107.24(2), while 2 crystallizes in the space group P21/c with cell dimensions a = 9.401(4), b = 9.603(3), c = 12.603(4) Å, β 111.08(3). In these structures the ammonium substituents are symmetrically attached with respect to the cubane skeleton and have neither low lying empty orbitals nor available lone pairs of electrons thus they have a minimal effect on the metrical parameters of the cubane skeleton. All C–C bond lengths are close to the overall average C–C bond length for all reported cubanes of 1.559 Å. The conformations adopted by the dinitramide ions in both structures are quite different, with the bend, twist, and torsion angles for the dinitramide ion in 1 being significantly larger than those found for the dinitramide ions in 2, due to the different types of hydrogen bonding found in the two structures. In 2, the conformation adopted by the adjacent ammonium ions allows two of the three protons from each ammonium cation to form hydrogen bonds in such a manner that they span either the syn or the anti oxygen atoms of a single dinitramide anion. The dinitramide anion is thus constrained by these interactions and is less free to twist and bend. These results provide further confirmation that the metrical parameters of both the cubane and dinitramide moieties are flexible and reflect their local environment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022433512219
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  • 4
    Electronic Resource
    Electronic Resource
    A new class of flexible energetic salts, part 3: The crystal structures of the 3,3-dinitroazetidinium dinitramide and 1-i-propyl-3,3-dinitroazetidinium dinitramide salts (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 163-169 
    Details
    ISSN: 1572-8854
    Keywords: Azetidine structures ; substituted azetidines ; azetidinium salts ; dinitramide salts
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of 3,3-dinitroazetidinium, 1, and 1-i-propyl-3,3-dinitroazetidinium dinitramide, 2, have been determined. 1 crystallizes in the orthorhombic space group Cmc21 with cell dimensions a = 9.932(1), b = 8.545(1), c = 11.107(1) Å, while 2 crystallizes in the orthorhombic space group Pbca with cell dimensions a = 11.464(2), b = 11.657(2), c = 17.916(4) Å. Compound 2 formed spontaneously from 1 by reacting with the solvent, acetone, during attempts to recrystallize it. The conformations adopted by the dinitramide ions are quite different with the bend, twist, and torsion angles for the dinitramide ion in 1 being much smaller than those in 2. Possible reasons for the dramatic differences in conformations observed in 1 and 2 are the different local symmetries for this ion found in the two structures as well as the absence of hydrogen bonding interactions in 2.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022410008353
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  • 5
    Electronic Resource
    Electronic Resource
    A new class of flexible energetic salts, part 5: The structures of two hexammonium polymorphs and the ethane-1,2-diammonium salts of dinitramide (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 673-681 
    Details
    ISSN: 1572-8854
    Keywords: Hexamine structures ; hexammonium structures ; ethane-1,2-diammonium structures ; dinitramide structures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of two hexammonium polymorphs, 1 and 2, and the ethane-1,2-diammonium, 3, salts of dinitramide have been determined. 1 crystallizes in the triclinic space group $${P\bar 1}$$ with cell dimensions a = 6.391(2), b = 7.5826(9), c = 10.828(1) Å, a = 77.58(1), β = 88.18 (2), γ = 87.54(2)°, 2 crystallizes in the monoclinic space group P21/c with cell dimensions a = 6.4893(3), b = 14.5149(8), c = 10.6557(4) Å, β = 94.300(4)°, and 3 crystallizes in the triclinic space group $${P\bar 1}$$ with cell dimensions a = 5.614(1), b = 6.867(2), c = 7.371(2) Å, α = 68.89(2), β = 89.00(2), γ = 78.90(2)°. The three structures all contain protonated amine cations which are involved in hydrogen bonding interactions with dinitramide anions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1021743916604
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  • 6
    Electronic Resource
    Electronic Resource
    Structural and spectral studies of binuclear copper(II) 2-acetylpyridine 3-azacyclothiosemicarbazones with sulfato bridges (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1089-1095 
    Details
    ISSN: 1572-8854
    Keywords: binuclear ; copper(II) ; sulfato bridges ; structure ; 3-azacyclothiosemicarbazone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Structures of two binuclear copper(II) complexes with sulfato bridges and tridentate 2-acetylpyridine 3-azacyclothiosemicarbazone ligands have been solved. The complexμ-sulfato-bis{(2-acetylpyridine 3-hexamethyleneiminyl-thiosemicarbazonato)copper(II)} N,N-dimethylformamide, [Cu(Achexim)]2SO4·DMF, has the following structural properties: triclinic, P1¯(#2), a = 12.314(4), b = 15.885(4), c = 10.959(4) Å, α = 103.25(2), β = 103.60(2), γ = 109.94(2)°, V = 1843(2) Å3, and Z = 2; for μ-sulfato-bis{(2-acetylpyridine 3-piperidylthiosemicarbazonato)copper(II)}chloroform, [Cu(Acpip)]2SO4·CHCl3: triclinic, P1¯(#2), a = 11.657(1), b = 17.101(2), c = 10.338(1) Å, α = 98.51(1), β = 109.294(7), γ = 107.016(9)°, V = 1790.3(4) Å3, and Z = 2. The size of the azacyclo ring significantly affects the stereochemistry of these binuclear complexes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009501623403
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  • 7
    Electronic Resource
    Electronic Resource
    Structural studies of Mo(VI) coordination chemistry crystal and molecular structure of trispotassium [cis-trioxo(nitrilotriacetato)molybdate(VI)] monohydrate (1976)
    Springer
    Journal of chemical crystallography 6 (1976), S. 13-22 
    Details
    ISSN: 1572-8854
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of trispotassium [cis-trioxo(nitrilotriacetato)molybdate (VI)] monohydrate, C6H8K3MoNO10, has been determined. The crystals are monoclinic, space groupP21/c,a = 9.700(4),b = 19.628(6),c = 7.608(2) Å, β = 110.58(4) ° andZ = 4. X-ray data were collected by counter methods using MoKα. radiation, and least-squares refinement led toR = 0.055 for the 2234 independent reflections for which ¦F 0¦2 〉 σ(¦F 0¦2). The anion contains acis-trioxo metal system, while the ligand coordinates as a tridentate through its nitrogen atom and two of the three carboxylate oxygen atoms, the Mo atom being in a distorted octahedral environment. The two glycinato rings involved in the coordination are mutuallycis. The mean Mo-O (terminal) bond length is 1.74 Å and the lengths of the metal-ligand bonds are Mo-O 2.18, 2,25 Å; Mo-N 2.39 Å.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01841229
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  • 8
    Electronic Resource
    Electronic Resource
    A new class of flexible energetic salts, part 6: the structures of the hydrazinium and hydroxylammonium salts of dinitramide (2000)
    Springer
    Journal of chemical crystallography 30 (2000), S. 599-604 
    Details
    ISSN: 1572-8854
    Keywords: Hydroxylamine structures ; hydrazinium structures ; dinitramide structures ; energetic materials
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of two amine base salts, the hydrazinium, 1, and the hydroxylammonium, 2, of dinitramide have been determined. 1 crystallizes in the monoclinic space group P 21/c with cell dimensions a = 8.312(3), b = 5.654(1), c = 10.659(3) Å, β = 93.73(3)°, while 2 crystallizes in the orthorhombic space group Pcab (nonstandard setting of Pbca) with cell dimensions a = 6.439(2), b = 12.470(4), c = 30.816(14) Å. The structures of 1 and 2 contain protonated amine cations and dinitramide anions linked by hydrogen bonding. In addition, in 2 there are both neutral and zwitterionic hydroxylamine moieties involved in the hydrogen bonding scheme. Thus in 2 the complete formula unit is (NH3 +OH)2[N3O4 −]2 · (NH2OH) middot; (NH3 +O−), and in this structure the hydroxylamine exists in its three possible forms: protonated, neutral, and zwitterionic. In both structures the conformations adopted by the dinitramine anions can be related to the types of hydrogen bonds it forms with the surrounding amine cations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1011362427996
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  • 9
    Electronic Resource
    Electronic Resource
    The crystal and molecular structures of highly substituted cubanes: 1,2,4,7-tetra(carboxymethyl)cubane and 1,2,3,5,7-penta(carboxymethyl)cubane (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 661-670 
    Details
    ISSN: 1572-8854
    Keywords: Tetrasubstituted cubane derivatives ; pentasubstituted cubane derivatives ; 1,2-disubstituted cubane structures ; cubane structures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of the title compounds, 1,2,4,7-tetra(carboxymethyl)cubane 1 and 1,2,3,5,7-penta(carboxymethyl)cubane2, have been determined.1 crystallized in the space group $$P\bar 1$$ with cell dimensionsa=6.098(2),b=10.686(2),c=13.459(2) Å, α=69.82(1), β=77.01(1), γ=74.00(1)°, while2 crystallized in the monoclinic space group P21/c with cell dimensionsa=15.139(2),b=12.775(1),c=9.849(2) Å, β=107.01(1)°. These molecules were derived from their parent carboxylic acids by esterification with methanol. They are unusual for several reasons. The first is that they both contain substituents on adjacent carbon atoms in the cubane framework. There are only a few reports in the literature of this type of cubane structure. The second molecule is unique in that it has five substituents attached to a cubane moiety. This is the one of the few cubane derivatives with more than four substituents to be structurally characterized and results in a cubane molecule in which there are three faces with three substituents and three faces with only two substituents.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665973
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  • 10
    Electronic Resource
    Electronic Resource
    Distortions in nitramine substituted cubanes: The structures of N,N′-dinitro-1,4-diaminocubane, N,N′-dinitro-N,N′-(2-pyridyl)-1,4-diaminocubane, and 1,2,4,7-tetrakis(N-methoxycarbonylnitramino)cubane (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 381-388 
    Details
    ISSN: 1572-8854
    Keywords: Nitramine structures ; cubane structures ; nitramine substituted cubanes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of three nitramine substituted cubane molecules, N,N′-dinitro-1,4-diaminocubane (1), N,N′-dinitro-N,N′-(2-pyridyl)-1,4-diaminocubane (2), and 1,2,4,7-Tetrakis(N-methoxycarbonylnitramino)-cubane (3), have been determined.1 crystallized in the space group P21/a with cell dimensionsa=6.545(1),b=9.331(1),c=7.459(1) Å, β=105.80(1),2 crystallized in the monoclinic space group P21/a with cell dimensionsa=7.545(2),b=8.697(3),c=12.406(4 Å, β=96.28(3)°, while3 crystallized in the monoclinic space group P21/c with cell dimensionsa=10.866(3),b=6.866(2),c=16.167(6) Å, β=108.79(3)°. The metrical parameters of the cubane skeleton showed no significant deviations from those found in other similarly substituted cubane molecules. For2 and3 there were considerable distortions of the nitramine moiety from planarity in contrast to1 where the nitramine moiety was almost exactly planar. The bond distances and angles for the nitramine group in1 indicates a substantial introduction of double bond character into the N−N bond in1, achieved by delocalization of the amine π lone pair, compared with2 and3.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665815
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