Information card for entry 7710136

Structure parameters

• Formula: C12 Br7 N4 Pb2
• Calculated formula: C12 Br7 N4 Pb2
• 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: 10.1747 ± 0.0009 Å
• b: 15.8777 ± 0.0017 Å
• c: 7.947 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.1243
• Weighted residual factors for significantly intense reflections: 0.3871
• Weighted residual factors for all reflections included in the refinement: 0.428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.598
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No