Crystallography Open Database

Information card for entry 7036011

Preview

Coordinates	7036011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Au N2 P S8
Calculated formula	C32 H26 Au N2 P S8
SMILES	[Au]12(Sc3c(S1)sc(n3)SC)Sc1c(S2)sc(SC)n1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Gold dithiolene complexes: easy access to 2-alkylthio-thiazoledithiolate complexes.
Authors of publication	Filatre-Furcate, Agathe; Auban-Senzier, Pascale; Fourmigué, Marc; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	35
Pages of publication	15683 - 15689
a	10.2973 ± 0.0007 Å
b	18.5146 ± 0.0014 Å
c	18.4627 ± 0.0013 Å
α	90°
β	99.274 ± 0.002°
γ	90°
Cell volume	3473.9 ± 0.4 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.232
Diffraction radiation probe	x-ray
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
161345 (current)	2015-10-09	cif/ Updating files of 7036011, 7036012, 7036013 Original log message: Adding full bibliography for 7036011--7036013.cif.	7036011.cif
152654	2015-07-31	cif/ Adding structures of 7036011, 7036012, 7036013 via cif-deposit CGI script.	7036011.cif