Information card for entry 4127506

Structure parameters

• Formula: C4 H12 Cd Cl3 N
• Calculated formula: C4 H12 Cd Cl3 N
• Title of publication: Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH₃)₂(F-CH₂CH₂)NH]₃(CdCl₃)(CdCl₄).
• Authors of publication: Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 10
• Pages of publication: 4372 - 4378
• a: 6.7388 ± 0.0003 Å
• b: 15.1099 ± 0.0007 Å
• c: 10.4269 ± 0.0007 Å
• α: 90°
• β: 118.749 ± 0.004°
• γ: 90°
• Cell volume: 930.82 ± 0.09 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0852
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No