Information card for entry 8107005

Structure parameters

• Formula: C22 H22 Br2 Co N4 O13
• Calculated formula: C22 H22 Br2 Co N4 O13
• Title of publication: Crystal structure of diaquabis(2-(3-bromophenyl)-5-carboxy-1H-imidazol-4-carboxylato-κ2 O,N) cobalt(II) trihydrate, C22H22Br2CoN4O13
• Authors of publication: Ding, Rui-Fang; Sun, Shan-Shan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 785 - 787
• a: 15.2953 ± 0.0019 Å
• b: 14.9696 ± 0.0019 Å
• c: 12.4221 ± 0.0015 Å
• α: 90°
• β: 92.725 ± 0.002°
• γ: 90°
• Cell volume: 2841 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No