Information card for entry 2007028

Structure parameters

• Chemical name: Complexe de Cuivre(II) di(Nitriloacétatodiacétique) Dihydrate
• Formula: C12 H20 Cu N2 O14
• Calculated formula: C12 H20 Cu N2 O14
• SMILES: C1C(=O)O[Cu]234([O]=C(C[N]12CC(=O)O)O)[N](CC(=O)O3)(CC(=[O]4)O)CC(=O)O.O.O
• Title of publication: Complexe de Cuivre(II) Di(nitriloacétatodiacétique) Dihydrate, [Cu(C~6~H~8~NO~6~)~2~].2H~2~O
• Authors of publication: Ben Amor, Fatma; Bourguiba, Néji; Driss, Ahmed; Jouini, Tahar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 197 - 199
• a: 6.879 ± 0.002 Å
• b: 14.004 ± 0.003 Å
• c: 9.504 ± 0.001 Å
• α: 90°
• β: 91.37 ± 0.02°
• γ: 90°
• Cell volume: 915.3 ± 0.3 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: 0.0691
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.0801
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.163
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No