Information card for entry 4133888

Structure parameters

• Formula: C5 H12 Br3 N Pb S
• Calculated formula: C5 H12 Br3 N Pb S
• Title of publication: Two-dimensional layered perovskite ferroelectric with giant piezoelectric voltage coefficient.
• Authors of publication: Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Li, Peng-Fei; Ge, Jia-Zhen; Tang, Yuan-Yuan; Gao, Ji-Xing; Zhang, Wan-Ying; Fu, Da-Wei; You, Yu-Meng; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 8.0507 ± 0.0003 Å
• b: 8.0718 ± 0.0003 Å
• c: 18.7029 ± 0.0008 Å
• α: 90°
• β: 97.229 ± 0.004°
• γ: 90°
• Cell volume: 1205.72 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No