Information card for entry 2207623

Structure parameters

• Chemical name: poly[bis(4,4'-bipyridine)(μ~3~-4,4'-dicarboxy-biphenyl-3,3'- dicarboxylato)cobalt(II)]
• Formula: C36 H24 Co N4 O8
• Calculated formula: C36 H24 Co N4 O8
• SMILES: [Co]123([n]4ccc(cc4)c4ccncc4)([n]4ccc(c5ccncc5)cc4)[O]=C(O1)c1c(C(=O)O)ccc(c1)c1ccc(C(=O)O)c(c1)C(=O)O[Co]1([n]4ccc(cc4)c4ccncc4)([n]4ccc(c5ccncc5)cc4)[O]=C(O1)c1c(C(=O)O)ccc(c1)c1ccc(C(=O)O)c(c1)C(O2)=[O][Co]12([n]4ccc(cc4)c4ccncc4)([n]4ccc(c5ccncc5)cc4)[O]=C(O3)c3c(C(=O)O)ccc(c3)c3cc(c(C(=O)O)cc3)C3=[O][Co](O3)([n]3ccc(cc3)c3ccncc3)([n]3ccc(c4ccncc4)cc3)OC(=O)c3c(C(=O)O)ccc(c3)c3cc(C(=[O]2)O1)c(C(=O)O)cc3
• Title of publication: Poly[bis(4,4'-bipyridine)(μ~3~-4,4'-dicarboxybiphenyl-3,3'-dicarboxylato)cobalt(II)]
• Authors of publication: Xiang-Rong Hao; Zhong-Min Su; Ya-Hui Zhao; Kui-Zhan Shao; Yong Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2477 - m2479
• a: 11.9781 ± 0.001 Å
• b: 24.094 ± 0.002 Å
• c: 10.7056 ± 0.0009 Å
• α: 90°
• β: 105.925 ± 0.002°
• γ: 90°
• Cell volume: 2971.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes