Information card for entry 2021869

Structure parameters

• Chemical name: 'Bromo-n-propionamido-α-alaninatocopper(II) hydrate'
• Formula: C6 H13 Br Cu N2 O4
• Calculated formula: C6 H11 Br Cu N2 O4
• Title of publication: Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate
• Authors of publication: Chen, W.; Lim, M.-C.
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 537
• a: 7.6203 ± 0.0004 Å
• b: 10.2094 ± 0.0009 Å
• c: 14.045 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1092.68 ± 0.19 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 all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1167
• Weighted residual factors for significantly intense reflections: 0.1148
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No