Information card for entry 4134108

Structure parameters

• Formula: C10 H36 Br10 N4 Sn3
• Calculated formula: C10 H36 Br10 N4 Sn3
• Title of publication: A Potential Sn-Based Hybrid Perovskite Ferroelectric Semiconductor.
• Authors of publication: Li, Lina; Liu, Xitao; He, Chao; Wang, Sasa; Ji, Chengmin; Zhang, Xinyuan; Sun, Zhihua; Zhao, Sangen; Hong, Maochun; Luo, Junhua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 3
• Pages of publication: 1159 - 1163
• a: 5.9165 ± 0.0008 Å
• b: 5.9165 ± 0.0008 Å
• c: 51.658 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1808.3 ± 0.4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No