Information card for entry 7710135

Structure parameters

• Formula: C6 Br3 N2 Pb
• Calculated formula: C6.0002 Br3 N2.0001 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: 9.7659 ± 0.0016 Å
• b: 9.7659 ± 0.0016 Å
• c: 7.9042 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 652.85 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.3405
• Residual factor for significantly intense reflections: 0.1935
• Weighted residual factors for significantly intense reflections: 0.3019
• Weighted residual factors for all reflections included in the refinement: 0.3389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.43
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No