Information card for entry 7130350

Structure parameters

• Formula: C35 H80 Br15 N10 Rb5
• Calculated formula: C35 H80 Br15 N10 Rb5
• 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: 48.9591 ± 0.0006 Å
• b: 6.8436 ± 0.0001 Å
• c: 9.8667 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3305.9 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No