Information card for entry 4134993

Structure parameters

• Formula: C12 H24 F4 I4 N2 Pb
• Calculated formula: C12 H24 F4 I4 N2 Pb
• SMILES: [Pb](I)(I)([I-])[I-].FC1(F)CCC[NH2+]CC1.FC1(F)CC[NH2+]CCC1
• Title of publication: Confinement-Driven Ferroelectricity in a Two-Dimensional Hybrid Lead Iodide Perovskite.
• Authors of publication: Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Zhi-Xu; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 22
• Pages of publication: 10212 - 10218
• a: 13.835 ± 0.0014 Å
• b: 9.9882 ± 0.0007 Å
• c: 8.5383 ± 0.0008 Å
• α: 90°
• β: 104.737 ± 0.011°
• γ: 90°
• Cell volume: 1141.07 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No