Crystallography Open Database

Information card for entry 4342131

Preview

Coordinates	4342131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl4 H12 O6 Zn2
Calculated formula	Cl4 H12 O6 Zn2
Title of publication	Crystalline and liquid structure of zinc chloride trihydrate: a unique ionic liquid.
Authors of publication	Wilcox, Robert J.; Losey, Bradley P.; Folmer, Jacob C. W.; Martin, James D.; Zeller, Matthias; Sommer, Roger
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	3
Pages of publication	1109 - 1119
a	6.477 ± 0.003 Å
b	6.511 ± 0.003 Å
c	14.291 ± 0.007 Å
α	90.466 ± 0.008°
β	98.9 ± 0.008°
γ	95.575 ± 0.008°
Cell volume	592.4 ± 0.5 Å³
Cell temperature	254 ± 2 K
Ambient diffraction temperature	254 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.1839
Weighted residual factors for all reflections included in the refinement	0.205
Goodness-of-fit parameter for all reflections	7.37
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Method of determination	powder diffraction
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179524 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/21.	4342131.cif
130304	2015-02-03	cif/ Adding structures of 4342128, 4342129, 4342130, 4342131, 4342132 via cif-deposit CGI script.	4342131.cif