Information card for entry 2006102

Structure parameters

• Formula: C6 H11 Br Cu N2 O3
• Calculated formula: C6 H11 Br Cu N2 O3
• SMILES: Br[Cu]12([O]=C(N)CC[NH]2[C@H](C(=O)O1)C)[O]=C1O[Cu]2(Br)[O]=C(N)CC[NH]2[C@H]1C
• Title of publication: Two Isomeric Bis(n-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
• Pages of publication: 539 - 543
• a: 6.8175 ± 0.0008 Å
• b: 10.762 ± 0.002 Å
• c: 13.71 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1006 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0516
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No