Information card for entry 7120274

Structure parameters

• Formula: C4 H12 Br3 Cd O P
• Calculated formula: C4 H11 Br3 Cd O P
• Title of publication: [(CH3)3PCH2OH][CdBr3] Is a Perovskite-type Ferroelastic Compound Above Room Temperature
• Authors of publication: Zheng, Xuan; Zhou, Lin; Shi, Ping-Ping; Geng, Fu-Juan; Fu, Da-Wei; Ye, Qiong
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.127 ± 0.002 Å
• b: 15.938 ± 0.003 Å
• c: 6.9785 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1126.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P m c n
• Hall space group symbol: -P 2n 2a
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No