Information card for entry 1576183

Structure parameters

• Formula: C10 H24 Br4 N2 Pb
• Calculated formula: C10 H24 Br4 N2 Pb
• Title of publication: Two-dimensional Lead-Free Double Perovskite Ferroelastic with Dynamic Thermochromism
• Authors of publication: Su, Chang-Yuan; Yi, Heng-Guan; Ni, Hao-Fei; Du, Guowei; Xia, San-Qiang; Liu, Zunqi; Zhang, Zhi-Xu; Fu, Da-Wei
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 14.339 ± 0.007 Å
• b: 8.289 ± 0.003 Å
• c: 8.232 ± 0.003 Å
• α: 90°
• β: 99.762 ± 0.012°
• γ: 90°
• Cell volume: 964.3 ± 0.7 ų
• Cell temperature: 283 K
• Ambient diffraction temperature: 283 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: 0.0662
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No