Crystallography Open Database

Information card for entry 4118761

Preview

Coordinates	4118761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Au N3 S4 Se4
Calculated formula	C18 H30 Au N3 S4 Se4
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	9.5164 ± 0.0007 Å
b	12.9011 ± 0.0009 Å
c	10.9576 ± 0.0007 Å
α	90°
β	96.033 ± 0.003°
γ	90°
Cell volume	1337.84 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4118761.cif
76319	2013-03-17	cif/ Adding structures of 4118761 via cif-deposit CGI script.	4118761.cif