Information card for entry 7129390

Structure parameters

• Formula: C10 H32 Br7 N3 Pb2
• Calculated formula: C10 H32 Br7 N3 Pb2
• Title of publication: 2D Hybrid perovskite incorporating cage-confined secondary ammonium cations toward effective photodetection
• Authors of publication: Hua, Lina; Chen, Huaixi; Han, Shiguo; Xu, Haojie; Lu, Lei; Tang, Liwei; Wang, Beibei; Luo, Junhua; Sun, Zhihua
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 5.9841 ± 0.0002 Å
• b: 5.9841 ± 0.0002 Å
• c: 39.049 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1398.32 ± 0.13 ų
• Cell temperature: 330 ± 2 K
• Ambient diffraction temperature: 329.99 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No