Information card for entry 8104986

Structure parameters

• Formula: C64 H44 Br4 N8 O8 Zn2
• Calculated formula: C64 H44 Br4 N8 O8 Zn2
• Title of publication: Crystal structure of catena-poly[(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-κ2 N:N′)-bis(4-bromobenzoate-κ1 O)zinc(II)], C64H44Br4N8O8Zn2
• Authors of publication: Bai, Xiao-Hui; Xing, Yan; Liu, Si-Jie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 149 - 151
• a: 6.6263 ± 0.0005 Å
• b: 24.355 ± 0.002 Å
• c: 18.2418 ± 0.0015 Å
• α: 90°
• β: 96.433 ± 0.002°
• γ: 90°
• Cell volume: 2925.4 ± 0.4 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: 0.065
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No