Information card for entry 4127753

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: 6.3937 ± 0.0006 Å
• b: 6.3937 ± 0.0006 Å
• c: 52.791 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2158.1 ± 0.4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No