Crystallography Open Database

Information card for entry 7055658

Preview

Coordinates	7055658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H56 Au N S8
Calculated formula	C30 H56 Au N S8
SMILES	C12=C(S[C@@H](C[C@@H](C)S2)C)S[Au]2(S1)SC1=C(S[C@@H](C[C@@H](C)S1)C)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	13.6322 ± 0.0006 Å
b	13.9463 ± 0.0004 Å
c	20.562 ± 0.0008 Å
α	90°
β	101.23 ± 0.002°
γ	90°
Cell volume	3834.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	0.743
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.	7055658.cif
183874	2016-06-23	cif/ Adding structures of 7055656, 7055657, 7055658, 7055659, 7055660 via cif-deposit CGI script.	7055658.cif