Information card for entry 4127752

Structure parameters

• Formula: C12 H40 I10 N4 Pb3
• Calculated formula: C12 H40 I10 N4 Pb3
• Title of publication: High-Temperature Antiferroelectric of Lead Iodide Hybrid Perovskites.
• Authors of publication: Han, Shiguo; Liu, Xitao; Liu, Yi; Xu, Zhiyun; Li, Yaobin; Hong, Maochun; Luo, Junhua; Sun, Zhihua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12470 - 12474
• a: 9.0291 ± 0.0009 Å
• b: 8.9825 ± 0.0009 Å
• c: 52.666 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4271.4 ± 0.8 ų
• Cell temperature: 340 ± 2 K
• Ambient diffraction temperature: 340.01 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2133
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No