Information card for entry 2008361

Structure parameters

• Chemical name: Complexe de cuivre(II) diamino-1,2(cyclohexane diacétatodiacétique) trihydrate
• Formula: C14 H26 Cu N2 O11
• Calculated formula: C14 H26 Cu N2 O11
• SMILES: [Cu]1234OC(=O)C[N]3([C@@H]3CCCC[C@H]3[N]4(CC(=O)O1)CC(=O)O)C[C@H](O2)O.O.O.O
• Title of publication: Complexe de cuivre(II) diamino-1,2-(cyclohexane diacétatodiacétique) trihydrate
• Authors of publication: Ben Amor, Fatma; Jouini, Tahar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 499 - 501
• a: 10.494 ± 0.004 Å
• b: 13.11 ± 0.004 Å
• c: 13.485 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No