Crystallography Open Database

Information card for entry 4344171

Preview

Coordinates	4344171.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5,6-dimethyl-thieno[2,3-d][1,3]dithiole-2-thione
Formula	C7 H6 S4
Calculated formula	C7 H6 S4
SMILES	S=C1Sc2sc(c(c2S1)C)C
Title of publication	A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand.
Authors of publication	Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	20
Pages of publication	9908 - 9913
a	8.442 ± 0.003 Å
b	10.174 ± 0.002 Å
c	10.579 ± 0.003 Å
α	90°
β	94.13 ± 0.03°
γ	90°
Cell volume	906.3 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.2189
Goodness-of-fit parameter for all reflections included in the refinement	0.848
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170055 (current)	2015-11-06	cif/ Updating files of 4344171, 4344172, 4344173, 4344174, 4344175 Original log message: Adding full bibliography for 4344171--4344175.cif.	4344171.cif
159542	2015-10-03	cif/ Adding structures of 4344171, 4344172, 4344173, 4344174, 4344175 via cif-deposit CGI script.	4344171.cif