Information card for entry 2210578

Structure parameters

• Chemical name: catena-Poly[[[diaquabis(4-carboxyphenoxyacetato-κO)cobalt(II)]-μ-4,4'- bipyridine-κ^2^N,N'] dihydrate]
• Formula: C28 H30 Co N2 O14
• Calculated formula: C28 H30 Co N2 O14
• SMILES: [Co]([OH2])([OH2])(OC(=O)COc1ccc(cc1)C(=O)O)(OC(=O)COc1ccc(cc1)C(=O)O)([n]1ccc(cc1)c1cc[n](cc1)[Co](OC(=O)COc2ccc(C(=O)O)cc2)(OC(=O)COc2ccc(C(=O)O)cc2)([OH2])[OH2])[n]1ccc(c2ccncc2)cc1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquabis(4-carboxyphenoxyacetato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>'] dihydrate]
• Authors of publication: Gao, Jin-Sheng; Hou, Guang-Feng; Yu, Ying-Hui; Hou, Yan-Jun; Li, Guang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2685 - m2687
• a: 11.726 ± 0.002 Å
• b: 11.135 ± 0.002 Å
• c: 12.485 ± 0.003 Å
• α: 90°
• β: 116.37 ± 0.03°
• γ: 90°
• Cell volume: 1460.5 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes