Information card for entry 1575924

Structure parameters

• Formula: C6 H18 Br4 Cl2 N2 Pb
• Calculated formula: C6 H18 Br4 Cl2 N2 Pb
• Title of publication: Constructing a photoferroelectric semiconductor by regulating non-covalent interactions through halogen substitution.
• Authors of publication: He, Yueyue; Wu, Shufang; Li, Xiaofei; Wang, Qi; Zhao, Ruifang; Pan, Lin; Qin, Chengbing; Zhang, Xian-Ming; Fu, Dongying
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 20948 - 20958
• a: 8.3957 ± 0.0005 Å
• b: 8.2101 ± 0.0005 Å
• c: 27.289 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1881 ± 0.2 ų
• Cell temperature: 375 ± 2 K
• Ambient diffraction temperature: 375 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No