Crystallography Open Database

Information card for entry 4301582

Preview

Coordinates	4301582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 O4 S2 W
Calculated formula	C8 H6 O4 S2 W
SMILES	[W]1(SC(=C(S1)C)C)(C#[O])(C#[O])(C#[O])C#[O]
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	6.8778 ± 0.0013 Å
b	7.6003 ± 0.0014 Å
c	12.318 ± 0.002 Å
α	94.916 ± 0.002°
β	97.976 ± 0.002°
γ	114.88 ± 0.002°
Cell volume	571.01 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
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.	4301582.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301582.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301582.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301582.cif