Information card for entry 4312409

Structure parameters

• Formula: C8 H15.5 Cu Na2 O10
• Calculated formula: C8 H15.5 Cu Na2 O10
• SMILES: CC(=O)O[Cu](OC(=O)C)(OC(=O)C)OC(=O)C.[Na+].[Na+].O.O
• Title of publication: Novel Acetate Binding Modes in [Na2Cu(CH3COO)4(H2O)].H2O
• Authors of publication: Andrew C. Warden; Milton T. W. Hearn; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7037 - 7040
• a: 16.638 ± 0.003 Å
• b: 11.781 ± 0.002 Å
• c: 15.668 ± 0.003 Å
• α: 90°
• β: 90.11 ± 0.03°
• γ: 90°
• Cell volume: 3071.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1221
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No