Information card for entry 2206227

Structure parameters

• Common name: bis(2,4-pyridinedicarboxylato-N,O)-(μ~2~-4,4'-bipyridine)-hexaaqua -dicobalt(II) dihydrate
• Chemical name: μ-4,4'-Bipyridine-κ^2^N:N'-bis[triaqua(pyridine-2,4-dicarboxylato- κ^2^N,O)cobalt(II)] dihydrate
• Formula: C24 H30 Co2 N4 O16
• Calculated formula: C24 H30 Co2 N4 O16
• SMILES: c1c[n]2[Co]([OH2])([OH2])([n]3ccc(c4cc[n](cc4)[Co]4([n]5c(C(=O)O4)cc(cc5)C(=O)[O-])([OH2])([OH2])[OH2])cc3)(OC(=O)c2cc1C(=O)[O-])[OH2].O.O
• Title of publication: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[triaqua(pyridine-2,4-dicarboxylato-κ^2^<i>N</i>,<i>O</i>)cobalt(II)] dihydrate
• Authors of publication: Zhang, Xian-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1332 - m1333
• a: 6.413 ± 0.001 Å
• b: 9.763 ± 0.002 Å
• c: 12.113 ± 0.002 Å
• α: 79.54 ± 0.03°
• β: 79.26 ± 0.03°
• γ: 80.61 ± 0.03°
• Cell volume: 726.1 ± 0.2 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: 0.0749
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes