Information card for entry 2214197

Structure parameters

• Chemical name: Tetraaquabis[2-(3-benzoylphenyl)propanoato-κ<i>O</i>]cobalt(II) monohydrate
• Formula: C32 H36 Co O11
• Calculated formula: C32 H36 Co O11
• SMILES: c1cccc(c1)C(=O)c1cc(ccc1)[C@H](C(=O)O[Co]([OH2])(OC(=O)[C@H](c1cc(C(=O)c2ccccc2)ccc1)C)([OH2])([OH2])[OH2])C.O
• Title of publication: Tetraaquabis[2-(3-benzoylphenyl)propanoato-κ<i>O</i>]cobalt(II) monohydrate
• Authors of publication: Zhu-Yan Zhang; Peng-Gang Chen; Zhao-Peng Deng; Nan Yu; Bing-Yi Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1900 - m1901
• a: 8.5966 ± 0.0017 Å
• b: 8.8939 ± 0.0018 Å
• c: 21.872 ± 0.004 Å
• α: 92.08 ± 0.03°
• β: 99.69 ± 0.03°
• γ: 108.92 ± 0.03°
• Cell volume: 1551.9 ± 0.6 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: 0.1036
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes