Crystallography Open Database

Information card for entry 4344175

Preview

Coordinates	4344175.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(4-ethyl-5-methylthiophene-2,3-dithiolate)gold
Formula	C14 H16 Au S6
Calculated formula	C14 H16 Au S6
SMILES	c12S[Au]3(Sc4c(S3)sc(c4CC)C)Sc1c(CC)c(C)s2
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	6.08222 ± 0.00017 Å
b	7.4498 ± 0.0002 Å
c	10.5245 ± 0.0003 Å
α	96.6635 ± 0.0018°
β	97.3421 ± 0.0019°
γ	109.17 ± 0.0017°
Cell volume	440.34 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.1973
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	4344175.cif
159542	2015-10-03	cif/ Adding structures of 4344171, 4344172, 4344173, 4344174, 4344175 via cif-deposit CGI script.	4344175.cif