Information card for entry 7714226

Structure parameters

• Chemical name: C7H16PbBr3
• Formula: C7 H16 Br3 N Pb
• Calculated formula: C7 H16 Br3 N Pb
• Title of publication: The halogen substitution strategy of inorganic skeletons triggers dielectric and band gap regulation of hybrid perovskites
• Authors of publication: Sun, Xiao-Tong; Zhang, Ying-Yu; Han, Yan; Wang, Xiao-Ping; Li, Jie; Li, Jun-Yi; Ni, Hao-Fei; Fu, Da-Wei; Zhang, Zhi-Xu
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.8846 ± 0.0008 Å
• b: 7.6949 ± 0.0003 Å
• c: 22.225 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2716.6 ± 0.2 ų
• Cell temperature: 232.99 ± 0.1 K
• Ambient diffraction temperature: 233 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No