Information card for entry 7713571

Structure parameters

• Formula: C16 H22 Cd Cl6 N2
• Calculated formula: C16 H22 Cd Cl6 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: 18.8581 ± 0.0014 Å
• b: 7.603 ± 0.0006 Å
• c: 7.6418 ± 0.0006 Å
• α: 90°
• β: 99.102 ± 0.002°
• γ: 90°
• Cell volume: 1081.87 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0447
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No