Information card for entry 2230914

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] pyridine-3,5-dicarboxylate trihydrate]
• Formula: C17 H25 Co N3 O11
• Calculated formula: C17 H25 Co N3 O11
• SMILES: [Co]([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([OH2])([OH2])[n]1ccc(c2cc[n]([Co]([OH2])([OH2])([OH2])[OH2])cc2)cc1.[O-]C(=O)c1cc(cnc1)C(=O)[O-].O.O.O.[O-]C(=O)c1cc(cnc1)C(=O)[O-].O.O.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] pyridine-3,5-dicarboxylate trihydrate]
• Authors of publication: Zhu, Xian-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m970 - m971
• a: 7.0053 ± 0.0018 Å
• b: 11.449 ± 0.003 Å
• c: 14.077 ± 0.004 Å
• α: 105.352 ± 0.004°
• β: 92.837 ± 0.004°
• γ: 94.624 ± 0.002°
• Cell volume: 1082.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes