Information card for entry 8103304

Structure parameters

• Formula: C20 H21 Br Cd N4 O2
• Calculated formula: C20 H21 Br Cd N4 O2
• Title of publication: Crystal structure of catena-(acetato-O,O')(bromo)[m-1,1'-(1,4-butanediyl)bis(benzimidazole)-N:N']cadmium(II), CdBr(C2H3O2)(C18H18N2)
• Authors of publication: Jian-Hua Qin; Xiang-Dong Han
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 7
• a: 10.253 ± 0.003 Å
• b: 14.323 ± 0.004 Å
• c: 17.137 ± 0.004 Å
• α: 90°
• β: 124.293 ± 0.012°
• γ: 90°
• Cell volume: 2079.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No