Information card for entry 4134460

Structure parameters

• Formula: C4 H11 Cl3 F N Zn
• Calculated formula: C4 H11 Cl3 F N Zn
• Title of publication: Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX₃ Ferroelectrics.
• Authors of publication: Chen, Lizhuang; Liao, Wei-Qiang; Ai, Yong; Li, Junyi; Deng, Siyu; Hou, Yunlong; Tang, Yuan-Yuan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 13
• Pages of publication: 6236 - 6243
• a: 7.2242 ± 0.0003 Å
• b: 8.8678 ± 0.0004 Å
• c: 15.7698 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1010.26 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No