Information card for entry 2203516

Structure parameters

• Chemical name: Hexaaquacobalt(II) benzene-1,4-dioxydiacetate
• Formula: C10 H20 Co O12
• Calculated formula: C10 H20 Co O12
• SMILES: C(=O)([O-])COc1ccc(cc1)OCC(=O)[O-].[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Hexaaquacobalt(II) benzene-1,4-dioxydiacetate
• Authors of publication: Liu, Ji-Wei; Huo, Li-Hua; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m439 - m440
• a: 5.568 ± 0.002 Å
• b: 6.366 ± 0.002 Å
• c: 11.62 ± 0.003 Å
• α: 102.21 ± 0.02°
• β: 95.59 ± 0.02°
• γ: 106.68 ± 0.01°
• Cell volume: 380.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes