Information card for entry 2203808

Structure parameters

• Formula: C12 H20 Co N2 O12
• Calculated formula: C12 H20 Co N2 O12
• SMILES: c1cc(ccn1=O)C(=O)[O-].[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].c1cc(ccn1=O)C(=O)[O-]
• Title of publication: Hexaquacobalt(II) bis(isonicotinate <i>N</i>-oxide): a redetermination and analysis of the hydrogen-bonding interactions
• Authors of publication: Miao Du; Xiao-Jun Zhao; Jian-Hua Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m788 - m790
• a: 11.425 ± 0.004 Å
• b: 9.78 ± 0.004 Å
• c: 7.726 ± 0.003 Å
• α: 90°
• β: 90.967 ± 0.006°
• γ: 90°
• Cell volume: 863.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes