Information card for entry 4127235

Structure parameters

• Formula: C8 H32 Br10 N4 Pb3
• Calculated formula: C8 H32.96 Br10 N4 Pb3
• Title of publication: An Unprecedented Biaxial Trilayered Hybrid Perovskite Ferroelectric with Directionally Tunable Photovoltaic Effects.
• Authors of publication: Wang, Sasa; Liu, Xitao; Li, Lina; Ji, Chengmin; Sun, Zhihua; Wu, Zhenyue; Hong, Maochun; Luo, Junhua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 19
• Pages of publication: 7693 - 7697
• a: 6.008 ± 0.0015 Å
• b: 6.008 ± 0.0015 Å
• c: 46.843 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1690.8 ± 0.8 ų
• Cell temperature: 390 ± 2 K
• Ambient diffraction temperature: 390 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No