Crystallography Open Database

Information card for entry 4301584

Preview

Coordinates	4301584.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tungsten tris(cis-1,2-dimethyl-ene-1,2-dithiolate)
Formula	C12 H18 S6 W
Calculated formula	C12 H18 S6 W
Title of publication	Synthesis, Structures, and Properties of Mixed Dithiolene-Carbonyl and Dithiolene-Phosphine Complexes of Tungsten
Authors of publication	P. Chandrasekaran; Kuppuswamy Arumugam; Upul Jayarathne; Lisa M. Pérez; Joel T. Mague; James P. Donahue
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2103 - 2113
a	15.344 ± 0.002 Å
b	8.9176 ± 0.0013 Å
c	13.669 ± 0.002 Å
α	90°
β	108.089 ± 0.002°
γ	90°
Cell volume	1777.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0436
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179053 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/15.	4301584.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301584.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301584.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301584.cif