Crystallography Open Database

Information card for entry 4134464

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Coordinates	4134464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H22 Cl8 N2 Zn2
Calculated formula	C8 H22 Cl8 N2 Zn2
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	28.8906 ± 0.001 Å
b	7.1178 ± 0.0002 Å
c	10.2641 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2110.68 ± 0.11 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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