Information card for entry 2006101

Structure parameters

• Chemical name: bis(N-propionamido-α-alaninato)copper(II) hydrate
• Formula: C12 H24 Cu N4 O7
• Calculated formula: C12 H24 Cu N4 O7
• SMILES: [Cu]12(OC(=O)[C@H]([NH]1CCC(=O)N)C)OC(=O)[C@H]([NH]2CCC(=O)N)C.O
• Title of publication: Two Isomeric Bis(<i>n</i>-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O
• Authors of publication: Chen, Wei; Lim, Meng-chay
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 539 - 543
• a: 18.357 ± 0.003 Å
• b: 5.7887 ± 0.0004 Å
• c: 17.728 ± 0.003 Å
• α: 90°
• β: 119.52 ± 0.02°
• γ: 90°
• Cell volume: 1639.3 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for all reflections: 1.113
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No