Crystallography Open Database

Information card for entry 4118764

Preview

Coordinates	4118764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Au N2 S4 Se4
Calculated formula	C10 H10 Au N2 S4 Se4
SMILES	[Au]12([Se]C3=C(SC(=S)N3CC)[Se]1)[Se]C1=C(N(C(=S)S1)CC)[Se]2
Title of publication	Anisotropic Chemical Pressure Effects in Single-Component Molecular Metals Based on Radical Dithiolene and Diselenolene Gold Complexes
Authors of publication	Gilles Yzambart; Nathalie Bellec; Ghassan Nasser; Olivier Jeannin; Thierry Roisnel; Marc Fourmigué; Pascale Auban-Senzier; Jorge Íñiguez; Enric Canadell; Dominique Lorcy
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	17138 - 17148
a	14.5116 ± 0.0005 Å
b	4.0984 ± 0.0003 Å
c	14.3554 ± 0.0005 Å
α	90°
β	92.613 ± 0.004°
γ	90°
Cell volume	852.89 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0393
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
178958 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/87.	4118764.cif
76322	2013-03-17	cif/ Adding structures of 4118764 via cif-deposit CGI script.	4118764.cif