Information card for entry 7247229

Structure parameters

• Formula: C20 H40 Br8 F8 N4 Pb2
• Calculated formula: C20 H40 Br8 F8 N4 Pb2
• Title of publication: Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites
• Authors of publication: Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 35
• Pages of publication: 5029 - 5034
• a: 12.205 ± 0.0003 Å
• b: 12.205 ± 0.0003 Å
• c: 51.295 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7641 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1575
• 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