Information card for entry 4004008

Structure parameters

• Formula: C15 H42 Bi2 Br9 N3
• Calculated formula: C15 H42 Bi2 Br9 N3
• Title of publication: Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches
• Authors of publication: Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 19.5801 ± 0.0012 Å
• b: 21.328 ± 0.002 Å
• c: 8.7346 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3647.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2563
• Weighted residual factors for all reflections included in the refinement: 0.2724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No