Information card for entry 8000417

Structure parameters

• Formula: C6 H18 B3 F12 N3
• Calculated formula: C6 H18 B3 F12 N3
• Title of publication: Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response.
• Authors of publication: Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2020
• Pages of publication: 1668 - 1674
• a: 14.2205 ± 0.0003 Å
• b: 14.2205 ± 0.0003 Å
• c: 14.2205 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2875.71 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No