Information card for entry 2217730

Structure parameters

• Chemical name: Tetraaquabis(4-formylbenzoato-κO)cobalt(II) tetrahydrate
• Formula: C16 H26 Co O14
• Calculated formula: C16 H26 Co O14
• SMILES: c1cc(ccc1C=O)C(=O)O[Co]([OH2])([OH2])(OC(=O)c1ccc(C=O)cc1)([OH2])[OH2].O.O.O.O
• Title of publication: Tetraaquabis(4-formylbenzoato-κ<i>O</i>)cobalt(II) tetrahydrate
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m446
• a: 7.1472 ± 0.0003 Å
• b: 7.4759 ± 0.0004 Å
• c: 11.572 ± 0.0006 Å
• α: 77.114 ± 0.002°
• β: 77.905 ± 0.002°
• γ: 63.839 ± 0.001°
• Cell volume: 536.61 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes