Information card for entry 8000503

Structure parameters

• Formula: C4 H12 Br3 N O Pb
• Calculated formula: C4 H12 Br3 N O Pb
• Title of publication: A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i>_c Phase Transitions.
• Authors of publication: Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 5221 - 5227
• a: 10.3827 ± 0.0007 Å
• b: 14.8485 ± 0.0012 Å
• c: 7.6353 ± 0.0005 Å
• α: 90°
• β: 95.432 ± 0.007°
• γ: 90°
• Cell volume: 1171.83 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No