Information card for entry 7246220

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: 19.0475 ± 0.0014 Å
• b: 7.487 ± 0.0005 Å
• c: 7.5538 ± 0.0005 Å
• α: 90°
• β: 96.033 ± 0.006°
• γ: 90°
• Cell volume: 1071.27 ± 0.13 ų
• Cell temperature: 292.97 ± 0.1 K
• Ambient diffraction temperature: 292.97 ± 0.1 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: 0.1095
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.271
• Weighted residual factors for all reflections included in the refinement: 0.2856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No