Information card for entry 2219867

Structure parameters

• Chemical name: catena-Poly[[bis(3,5-dicarboxybenzoato)cobalt(II)]-μ-4,4'-bipyridine]
• Formula: C28 H18 Co N2 O12
• Calculated formula: C28 H18 Co N2 O12
• SMILES: [Co](OC(=O)c1cc(C(=O)O)cc(c1)C(=O)O)(OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)([n]1ccc(cc1)c1cc[n](cc1)[Co](OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)[n]1ccc(c2ccncc2)cc1
• Title of publication: <i>catena</i>-Poly[[bis(3,5-dicarboxybenzoato)cobalt(II)]-μ-4,4'-bipyridine]
• Authors of publication: Ling, Chun-Sheng; Han, Qiu-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1400
• a: 10.6682 ± 0.0007 Å
• b: 11.049 ± 0.0007 Å
• c: 22.6563 ± 0.0014 Å
• α: 90°
• β: 101.401 ± 0.001°
• γ: 90°
• Cell volume: 2617.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes