Crystallography Open Database

Information card for entry 4134462

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Coordinates	4134462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 Br Cl3 N Zn
Calculated formula	C4 H11 Br Cl3 N Zn
Title of publication	Precise Molecular Design Toward Organic-Inorganic Zinc Chloride ABX<sub>3</sub> 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	7.1748 ± 0.0004 Å
b	9.1116 ± 0.0005 Å
c	17.2922 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1130.46 ± 0.11 Å³
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	0.0712
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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