Information card for entry 7250648

Structure parameters

• Formula: C5 H18 B3 F12 N3
• Calculated formula: C5 H18 B3 F12 N3
• Title of publication: Three-dimensional metal-free perovskite with switchable dielectric behaviors
• Authors of publication: Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 2810 - 2814
• a: 10.064 ± 0.002 Å
• b: 14.486 ± 0.002 Å
• c: 20.686 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3015.8 ± 1.1 ų
• Cell temperature: 303 K
• Ambient diffraction temperature: 303 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.1035
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No