Information card for entry 1567879

Structure parameters

• Formula: C9 H29 Br7 N4 Pb2
• Calculated formula: C9 H29 Br7 N4 Pb2
• Title of publication: Room-temperature antiferroelectric in hybrid perovskite enables highly-efficient energy storage at low electric fields
• Authors of publication: Liu, Yi; Xu, Haojie; Liu, Xitao; Han, Shiguo; Guo, Wuqian; Ma, Yu; Fan, Qingshun; Hu, Xinxin; Sun, Zhihua; Luo, Junhua
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.3299 ± 0.0004 Å
• b: 37.549 ± 0.003 Å
• c: 8.4639 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2647.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No