Information card for entry 7248753

Structure parameters

• Formula: C7 H16 Cd Cl3 N
• Calculated formula: C7 H16 Cd Cl3 N
• Title of publication: Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission
• Authors of publication: Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 3325 - 3330
• a: 12.2318 ± 0.0012 Å
• b: 6.6515 ± 0.0006 Å
• c: 15.0423 ± 0.0012 Å
• α: 90°
• β: 103.61 ± 0.003°
• γ: 90°
• Cell volume: 1189.47 ± 0.19 ų
• Cell temperature: 400 K
• Ambient diffraction temperature: 400 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: 0.0503
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No