Information card for entry 2211138

Structure parameters

• Chemical name: catena-Poly[[[bis[(-)-O-bornyldithiocarbonato-κ^2^S,S']nickel(II)]-μ-4,4'- bipyridine-κ^2^N:N'] chloroform disolvate]
• Formula: C34 H44 Cl6 N2 Ni O2 S4
• Calculated formula: C34 H44 Cl6 N2 Ni O2 S4
• SMILES: [Ni]12([S]=C(S1)O[C@H]1[C@]3(CC[C@@H](C1)C3(C)C)C)([n]1ccc(c3ccncc3)cc1)([S]=C(S2)O[C@H]1[C@]2(CC[C@@H](C1)C2(C)C)C)[n]1ccc(cc1)c2cc[n](cc2)[Ni]34([S]=C(S3)O[C@H]3[C@]5(CC[C@@H](C3)C5(C)C)C)[S]=C(S4)O[C@H]3[C@]4(CC[C@@H](C3)C4(C)C)C.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: <i>catena</i>-Poly[[[bis[({-})-<i>O</i>-bornyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>']nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] chloroform disolvate]
• Authors of publication: Dakternieks, Dainis; Duthie, Andrew; Lai, Chian-Sing; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3006 - m3008
• a: 32.739 ± 0.002 Å
• b: 11.3308 ± 0.0008 Å
• c: 11.9635 ± 0.0009 Å
• α: 90°
• β: 109.297 ± 0.002°
• γ: 90°
• Cell volume: 4188.6 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes