Information card for entry 2216582

Structure parameters

• Chemical name: catena-Poly[[bis(4,4'-bipyridine-κN)cobalt(II)]- μ~3~-4,4'-dicarboxybiphenyl-3,3'-dicarboxylato- κ^4^O^3^,O^3'^:O^3''^:O^3'''^)]
• Formula: C36 H24 Co N4 O8
• Calculated formula: C36 H24 Co N4 O8
• SMILES: [Co]123([n]4ccc(c5ccncc5)cc4)([n]4ccc(cc4)c4ccncc4)[O]=C(c4c(ccc(c5cc(c(cc5)C(=O)O)C(=O)O[Co]5([n]6ccc(c7ccncc7)cc6)([n]6ccc(cc6)c6ccncc6)[O]=C(c6c(ccc(c7cc(c(cc7)C(=O)O)C(=[O][Co]78([O]=C(c9cc(ccc9C(=O)O)c9ccc(c(c9)C9=[O][Co]([n]%10ccc(c%11ccncc%11)cc%10)([n]%10ccc(cc%10)c%10ccncc%10)(O9)OC(=O)c9cc(ccc9C(=O)O)c9ccc(c(c9)C(=[O]7)O8)C(=O)O)C(=O)O)O3)([n]3ccc(c7ccncc7)cc3)[n]3ccc(cc3)c3ccncc3)O2)c6)C(=O)O)O5)c4)C(=O)O)O1
• Title of publication: <i>catena</i>-Poly[[bis(4,4'-bipyridine-κ<i>N</i>)cobalt(II)]-μ~3~-(4,4'-dicarboxybiphenyl-3,3'-dicarboxylato-κ^4^<i>O</i>^3^,<i>O</i>^3'^:<i>O</i>^3''^:<i>O</i>^3'''^)]
• Authors of publication: Chao Qin; Xin-Long Wang; En-Bo Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3073 - m3074
• a: 11.045 ± 0.002 Å
• b: 11.361 ± 0.002 Å
• c: 12.352 ± 0.003 Å
• α: 103.83 ± 0.03°
• β: 93.54 ± 0.03°
• γ: 96.84 ± 0.03°
• Cell volume: 1487.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes