Information card for entry 2234392

Structure parameters

• Chemical name: Tetraaquabis[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)benzoato]cobalt(II)
• Formula: C20 H22 Co N4 O8
• Calculated formula: C20 H22 Co N4 O8
• SMILES: c1(ccc(cc1)C(=O)[O-])n1c[n](cc1)[Co]([n]1ccn(c2ccc(cc2)C(=O)[O-])c1)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)benzoato]cobalt(II)
• Authors of publication: Guo, Jian; Tong, Shao-Wei; Liu, Jian-She; Song, Wen-Dong; An, Jing-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m486 - m487
• a: 12.1976 ± 0.0015 Å
• b: 10.6555 ± 0.0013 Å
• c: 7.9602 ± 0.001 Å
• α: 90°
• β: 96.816 ± 0.002°
• γ: 90°
• Cell volume: 1027.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes