Information card for entry 7710134

Structure parameters

• Formula: C6 H13 Br3 N2 Pb
• Calculated formula: C6 H13 Br3 N2 Pb
• Title of publication: A lead bromide organic-inorganic hybrid perovskite material showing reversible dual phase transition and robust SHG switching
• Authors of publication: Han, Keke; Wei, Zhenhong; Ye, Xing; Li, Bo; Wang, Pan; Cai, Hu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.8703 ± 0.0003 Å
• b: 10.4757 ± 0.0004 Å
• c: 15.2771 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1259.55 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No