Information card for entry 7246224

Structure parameters

• Formula: C16 Cd Cl4 F2 N2
• Calculated formula: C16 Cd Cl4 F2 N2
• Title of publication: Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]
• Authors of publication: Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1270 - 1275
• a: 5.2977 ± 0.0002 Å
• b: 5.2977 ± 0.0002 Å
• c: 40.592 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1139.24 ± 0.1 ų
• Cell temperature: 408.01 ± 0.1 K
• Ambient diffraction temperature: 408.15 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No