Crystallography Open Database

Information card for entry 7055659

Preview

Coordinates	7055659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H69 Au Cl6 N O4 S8
Calculated formula	C39 H69 Au Cl6 N O4 S8
SMILES	C12=C(SCC3(CS2)O[C@H](C)[C@@H](C)O3)S[Au]2(S1)SC1=C(SCC3(CS1)O[C@H](C)[C@@H](C)O3)S2.C(CCC)[N+](CCCC)(CCCC)CCCC.CCCCCC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Chiral, radical, gold bis(dithiolene) complexes
Authors of publication	Le Pennec, Ronan; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	8
Pages of publication	7113
a	11.0845 ± 0.0003 Å
b	29.8343 ± 0.0007 Å
c	17.4548 ± 0.0004 Å
α	90°
β	104.412 ± 0.001°
γ	90°
Cell volume	5590.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
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
185604 (current)	2016-08-07	cif/ Updating files of 7055656, 7055657, 7055658, 7055659, 7055660 Original log message: Adding full bibliography for 7055656--7055660.cif.	7055659.cif
183874	2016-06-23	cif/ Adding structures of 7055656, 7055657, 7055658, 7055659, 7055660 via cif-deposit CGI script.	7055659.cif