Information card for entry 4128538

Structure parameters

• Formula: C8 H24 Br7 Cs N2 Pb2
• Calculated formula: C8 H24 Br7 Cs N2 Pb2
• Title of publication: Discovery of an Above-Room-Temperature Antiferroelectric in Two-Dimensional Hybrid Perovskite.
• Authors of publication: Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Peng, Yu; Tao, Kewen; Sun, Zhihua; Hong, Maochun; Luo, Junhua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 9
• Pages of publication: 3812 - 3816
• a: 39.342 ± 0.008 Å
• b: 8.2081 ± 0.0016 Å
• c: 8.3092 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2683.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P m n b
• Hall space group symbol: -P 2bc 2a
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No