Information card for entry 7247228

Structure parameters

• Formula: C5 H11 Br3 F N Pb
• Calculated formula: C5 H11 Br3 F N Pb
• 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: 7.8341 ± 0.0005 Å
• b: 10.1533 ± 0.0006 Å
• c: 14.2642 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1134.6 ± 0.12 ų
• Cell temperature: 293 ± 10 K
• Ambient diffraction temperature: 293 ± 10 K
• Number of distinct elements: 6
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No