Information card for entry 4131510

Structure parameters

• Formula: C0.3 H0.7 I0.13 N0.09 Rb0.04
• Calculated formula: C0.304348 H0.695652 I0.130435 N0.0869565 Rb0.0434783
• Title of publication: Precise Molecular Design of High-T_c 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI₃ (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).
• Authors of publication: Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 31
• Pages of publication: 10897 - 10902
• a: 7.272 ± 0.003 Å
• b: 7.272 ± 0.003 Å
• c: 7.272 ± 0.003 Å
• α: 84.81 ± 0.003°
• β: 84.81 ± 0.003°
• γ: 84.81 ± 0.003°
• Cell volume: 380.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :R
• Hall space group symbol: P 3*
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No