Information card for entry 2312554

Structure parameters

• Chemical name: Bis[4-cyano-<i>N</i>-(4-cyanobenzyl)pyridinium] antimony(III) pentabromide
• Formula: C28 H20 Br5 N6 Sb
• Calculated formula: C28 H20 Br4.975 N6 Sb
• Title of publication: Crystal structure and Hirshfeld surface analysis of two iHOFs based on CH...NC hydrogen bonding.
• Authors of publication: Qin, Qiaoqi; Liu, Jiamin; Luan, Xinyu; Xu, Jianqiao; Jiang, Long
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 8
• a: 23.8054 ± 0.0012 Å
• b: 23.8054 ± 0.0012 Å
• c: 7.3222 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4149.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes