Information card for entry 4125853

Structure parameters

• Formula: C4 H9 Br3 N2 Rb
• Calculated formula: Br3 N6 Rb
• Title of publication: A Three-Dimensional Molecular Perovskite Ferroelectric: (3-Ammoniopyrrolidinium)RbBr3.
• Authors of publication: Pan, Qiang; Liu, Zhi-Bo; Tang, Yuan-Yuan; Li, Peng-Fei; Ma, Rong-Wei; Wei, Ru-Yuan; Zhang, Yi; You, Yu-Meng; Ye, Heng-Yun; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 6.7999 ± 0.0018 Å
• b: 6.7999 ± 0.0018 Å
• c: 6.7999 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 314.42 ± 0.14 ų
• Cell temperature: 453 ± 2 K
• Ambient diffraction temperature: 453 ± 2 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No