Information card for entry 7713570

Structure parameters

• Formula: C16 H22 Br4 Cd Cl2 N2
• Calculated formula: C16 H22 Br4 Cd Cl2 N2
• Title of publication: Halogen Regulating Induced Reversible High-T-Dielectric-Thermal Transitions in Novel Layered Organic-Inorganic Hybrid Semiconducting Crystals
• Authors of publication: Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Wen, Jia Hui; Shi, Huijuan; Fan, Xiao-Wei; Li, QiaoLING; Wang, Meng Na
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 7.917 ± 0.003 Å
• b: 7.942 ± 0.004 Å
• c: 37.185 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2338.1 ± 1.7 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No