Information card for entry 8102704

Structure parameters

• Formula: C28 H30 Cu N4 O9
• Calculated formula: C28 H30 Cu N4 O9
• SMILES: [Cu]1(OC(=O)c2ccc(NC(=O)C)cc2)(OC(=O)c2ccc(NC(=O)C)cc2)([OH2])[n]2ccccc2c2[n]1cccc2.O.O
• Title of publication: Crystal structure of aqua(2,2'-bipyridine-k2N,N')-bis(4-acetylaminobenzoato-kO)copper(II) dihydrate, Cu(H2O)(C10H8N2)(C9H8O3N)2 · 2H2O
• Authors of publication: Ying-Qun Yang; Chang-Hong Li; Wei Li; Yun-Fei Kuang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 413
• a: 10.26 ± 0.003 Å
• b: 11.034 ± 0.002 Å
• c: 14.343 ± 0.004 Å
• α: 70.843 ± 0.014°
• β: 86.707 ± 0.017°
• γ: 65.914 ± 0.01°
• Cell volume: 1394.8 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No