Information card for entry 2215246

Structure parameters

• Chemical name: Diaquabis(2-oxidopyridinium-3-carboxylate)cobalt(II)
• Formula: C12 H12 Co N2 O8
• Calculated formula: C12 H12 Co N2 O8
• SMILES: O1C(=O)c2c([nH]ccc2)=[O][Co]21(OC(=O)c1c([nH]ccc1)=[O]2)([OH2])[OH2]
• Title of publication: Diaquabis(2-oxidopyridinium-3-carboxylato-κ^2^<i>O</i>^2^,<i>O</i>^3^)cobalt(II)
• Authors of publication: Yan, Huai-Yi; Hu, Tai-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2326 - m2326
• a: 7.4216 ± 0.0019 Å
• b: 12.33 ± 0.003 Å
• c: 7.55 ± 0.002 Å
• α: 90°
• β: 99.921 ± 0.004°
• γ: 90°
• Cell volume: 680.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes