Information card for entry 4128537

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: 39.75 ± 0.002 Å
• b: 8.2718 ± 0.0004 Å
• c: 8.2733 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2720.3 ± 0.3 ų
• Cell temperature: 360 ± 2 K
• Ambient diffraction temperature: 360 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No