Crystallography Open Database

Information card for entry 7055660

Preview

Coordinates	7055660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H48 Au N S8
Calculated formula	C26 H48 Au N S8
SMILES	C12=C(SCCCS2)S[Au]2(S1)SC1=C(SCCCS1)S2.C(CCC)[N+](CCCC)(CCCC)CCCC
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	17.4652 ± 0.0014 Å
b	10.836 ± 0.0009 Å
c	17.7614 ± 0.0013 Å
α	90°
β	90.474 ± 0.004°
γ	90°
Cell volume	3361.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0248
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0462
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	7055660.cif
183874	2016-06-23	cif/ Adding structures of 7055656, 7055657, 7055658, 7055659, 7055660 via cif-deposit CGI script.	7055660.cif