Information card for entry 2008130

Structure parameters

• Formula: C7 H14 Cu O12
• Calculated formula: C7 H14 Cu O12
• SMILES: [Cu]([OH2])([OH2])([OH2])([OH2])([OH2]).O=c1cc(oc(c1)C(=O)[O-])C(=O)[O-].O
• Title of publication: Pentaaqua(chelidonato-<i>O</i>^4^)copper(II) monohydrate
• Authors of publication: Manojlović-Muir, Ljubica; Muir, Kenneth W.; Campbell, Robert A.; McKendrick, John E.; Robins, David J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 178 - 180
• a: 7.3402 ± 0.0013 Å
• b: 8.7066 ± 0.0013 Å
• c: 11.179 ± 0.002 Å
• α: 70.591 ± 0.016°
• β: 81.513 ± 0.018°
• γ: 71.158 ± 0.017°
• Cell volume: 637.1 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes