Crystallography Open Database

Information card for entry 7224152

Preview

Coordinates	7224152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H13 Cl N6 S2
Calculated formula	C5 H13 Cl N6 S2
Title of publication	Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride
Authors of publication	Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	1958
a	14.75 ± 0.01 Å
b	9.887 ± 0.01 Å
c	8.419 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1227.8 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
181610 (current)	2016-04-05	cif/ Updating files of 7224152, 7224153, 7224154 Original log message: Adding full bibliography for 7224152--7224154.cif.	7224152.cif
176235	2016-02-06	cif/ Adding structures of 7224152, 7224153, 7224154 via cif-deposit CGI script.	7224152.cif