Information card for entry 4004016

Structure parameters

• Formula: C8 H20 Bi Br6 N2 O2 Rb
• Calculated formula: C8 H20 Bi Br6 N2 O2 Rb
• Title of publication: Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides
• Authors of publication: He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 8.8725 ± 0.0014 Å
• b: 14.4071 ± 0.0017 Å
• c: 9.6558 ± 0.0014 Å
• α: 90°
• β: 113.403 ± 0.018°
• γ: 90°
• Cell volume: 1132.7 ± 0.3 ų
• Cell temperature: 423 ± 2 K
• Ambient diffraction temperature: 423 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2858
• Residual factor for significantly intense reflections: 0.2127
• Weighted residual factors for significantly intense reflections: 0.4561
• Weighted residual factors for all reflections included in the refinement: 0.4898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No