Information card for entry 2213275

Structure parameters

• Chemical name: Diaquabis(malato-κ^2^O^1^,O^2^)copper(II)
• Formula: C8 H14 Cu O12
• Calculated formula: C8 H14 Cu O12
• SMILES: C1(=O)[C@H](CC(=O)O)[OH][Cu]2(O1)([OH2])([OH][C@@H](C(=O)O2)CC(=O)O)[OH2]
• Title of publication: Diaquabis(malato-κ^2^<i>O</i>^1^,<i>O</i>^2^)copper(II)
• Authors of publication: Xin-Yan Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1254 - m1255
• a: 8.4762 ± 0.0005 Å
• b: 7.4377 ± 0.0004 Å
• c: 10.3117 ± 0.0006 Å
• α: 90°
• β: 102.68 ± 0.001°
• γ: 90°
• Cell volume: 634.23 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0257
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes