Information card for entry 4134466

Structure parameters

• Formula: C4 H12 Cl3 N Zn
• Calculated formula: C4 H12 Cl3 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: 7.2453 ± 0.0003 Å
• b: 8.8632 ± 0.0004 Å
• c: 15.4226 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 990.39 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No