Information card for entry 2213671

Structure parameters

• Chemical name: Tetraaquabis[3-(4-carboxyphenoxy)propionato-κO]copper(II) dihydrate
• Formula: C20 H30 Cu O16
• Calculated formula: C20 H30 Cu O16
• SMILES: C(=O)(CCOc1ccc(cc1)C(=O)O)O[Cu]([OH2])([OH2])(OC(=O)CCOc1ccc(cc1)C(=O)O)([OH2])[OH2].O.O
• Title of publication: Tetraaquabis[3-(4-carboxyphenoxy)propionato-<i>{κ</i>O}]copper(II) dihydrate
• Authors of publication: Xiao, Ying-Hui; Kong, Li-Li; Gao, Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1750 - m1750
• a: 22.481 ± 0.005 Å
• b: 10.489 ± 0.002 Å
• c: 5.0315 ± 0.001 Å
• α: 90°
• β: 92.01 ± 0.03°
• γ: 90°
• Cell volume: 1185.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes