Information card for entry 4004015

Structure parameters

• Formula: C16 H40 Bi2 Br12 N4 O4 Rb2
• Calculated formula: C16 H40 Bi2 Br12 N4 O4 Rb2
• 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: 8.7893 ± 0.0004 Å
• b: 14.0924 ± 0.0007 Å
• c: 9.6968 ± 0.0005 Å
• α: 93.982 ± 0.004°
• β: 67.441 ± 0.005°
• γ: 92.837 ± 0.004°
• Cell volume: 1106.15 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No