Crystallography Open Database

Information card for entry 2019198

2019197 << 2019198 >> 2019199

Preview

Coordinates	2019198.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-poly[trimethylsulfonium [μ~2~-chlorido-di-μ~2~-thiocyanato-cadmate(II)]]
Formula	C5 H9 Cd Cl N2 S3
Calculated formula	C5 H9 Cd Cl N2 S3
Title of publication	A trimethylsulfonium salt with a novel polymeric cadmate anion
Authors of publication	Liu, Ming-Liang
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	1128 - 1131
a	8.0676 ± 0.0016 Å
b	8.8427 ± 0.0018 Å
c	9.0977 ± 0.0018 Å
α	105.64 ± 0.03°
β	105.18 ± 0.03°
γ	98.56 ± 0.03°
Cell volume	586.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019198.cif
89643	2013-11-06	cif/ Adding structures of 2019198 via cif-deposit CGI script.	2019198.cif