Information card for entry 7130351

Structure parameters

• Formula: C12 Br3 Rb
• Calculated formula: C12 Br2.994 Rb
• Title of publication: Precise design and preparation of two 3D organic−inorganic perovskite ferroelectrics (1,5-diazabicyclo[3.2.2]nonane)RbX3 (X = Br, I)
• Authors of publication: Han, Keke; Zhang, Mengxia; Wei, Zhenhong; Ye, Xing; Rao, Wenjun; Zhang, Haina; Cai, Hu
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.944 ± 0.0001 Å
• b: 6.944 ± 0.0001 Å
• c: 6.944 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 334.834 ± 0.008 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0477
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No