Information card for entry 2211473

Structure parameters

• Chemical name: Bis(acetato-κ^2^O,O')diaquacopper(II)
• Formula: C4 H10 Cu O6
• Calculated formula: C4 H10 Cu O6
• SMILES: C(=O)(O[Cu]([OH2])([OH2])OC(=O)C)C
• Title of publication: Bis(acetato-κ^2^<i>O</i>,<i>O</i>')diaquacopper(II)
• Authors of publication: Wang, Xiao-Yan; Deng, Xiao-Tao; Wang, Cheng-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3578 - m3579
• a: 5.4731 ± 0.0007 Å
• b: 10.199 ± 0.0013 Å
• c: 7.5187 ± 0.001 Å
• α: 90°
• β: 107.23 ± 0.002°
• γ: 90°
• Cell volume: 400.86 ± 0.09 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes