Information card for entry 2217293

Structure parameters

• Chemical name: Hexaaquacadmium(II) bis{[<i>N</i>-(2-oxidobenzylidene)glycyl-L-leucinato]cuprate(II)} dihydrate
• Formula: C30 H50 Cd Cu2 N4 O16
• Calculated formula: C30 H50 Cd Cu2 N4 O16
• SMILES: [Cd]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cu@]123Oc4ccccc4C=[N]1CC(=O)N2[C@@H](CC(C)C)C(=O)O3.[Cu@]123[N](=Cc4ccccc4O2)CC(=O)N1[C@@H](CC(C)C)C(=O)O3.O.O
• Title of publication: Hexaaquacadmium(II) bis{[<i>N</i>-(2-oxidobenzylidene)glycyl-<small>L</small>-leucinato]cuprate(II)} dihydrate
• Authors of publication: Guolin Zhang; Lihua Ye; Yanyan Zhang; Wenlong Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m94 - m95
• a: 7.0569 ± 0.0006 Å
• b: 17.4745 ± 0.0014 Å
• c: 15.943 ± 0.0013 Å
• α: 90°
• β: 100.68 ± 0.001°
• γ: 90°
• Cell volume: 1932 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes