Information card for entry 8000564

Structure parameters

• Formula: C4 H14 Br7 Cs N2 Pb2
• Calculated formula: C4 H14 Br7 Cs N2 Pb2
• Title of publication: Two-Dimensional Dion-Jacobson Perovskite (NH₃C₄H₈NH₃)CsPb₂Br₇ with High X-ray Sensitivity and Peak Discrimination of α-Particles.
• Authors of publication: Xiao, Bao; Sun, Qihao; Wang, Shiyao; Ji, Leilei; Li, Yingrui; Xi, Shouzhi; Zhang, Bin-Bin; Wang, Junjie; Jie, Wanqi; Xu, Yadong
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2022
• Pages of publication: 1187 - 1193
• a: 8.0489 ± 0.001 Å
• b: 31.099 ± 0.004 Å
• c: 8.3796 ± 0.001 Å
• α: 90°
• β: 90.441 ± 0.004°
• γ: 90°
• Cell volume: 2097.5 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No