Information card for entry 7714225

Structure parameters

• Chemical name: [C7H16N]PbI3
• Formula: C7 H16 I3 N Pb
• Calculated formula: C7 H16 I3 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: 11.9805 ± 0.0009 Å
• b: 16.4269 ± 0.0012 Å
• c: 7.8664 ± 0.0004 Å
• α: 90°
• β: 102.06 ± 0.003°
• γ: 90°
• Cell volume: 1513.96 ± 0.18 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No