Information card for entry 1566323

Structure parameters

• Formula: C8 H12 Br3 N Pb
• Calculated formula: C8 H12 Br3 N Pb
• Title of publication: Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3
• Authors of publication: Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He
• Journal of publication: Molecules
• Year of publication: 2022
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 728
• a: 7.8835 ± 0.0003 Å
• b: 8.068 ± 0.0003 Å
• c: 20.1237 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1279.95 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No