Crystallography Open Database

Information card for entry 4120691

4120690 << 4120691 >> 4120692

Preview

Coordinates	4120691.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 Au Br3 S
Calculated formula	C4 H8 Au Br3 S
SMILES	[Au](Br)(Br)(Br)[S]1CCCC1
Title of publication	Gold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst.
Authors of publication	Ball, Liam T.; Lloyd-Jones, Guy C; Russell, Christopher A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	1
Pages of publication	254 - 264
a	17.133 ± 0.0006 Å
b	7.1093 ± 0.0003 Å
c	17.3925 ± 0.0006 Å
α	90°
β	116.397 ± 0.002°
γ	90°
Cell volume	1897.59 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0213
Residual factor for significantly intense reflections	0.0164
Weighted residual factors for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.0434
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120691.cif
106674	2014-03-15	cif/ Adding structures of 4120691 via cif-deposit CGI script.	4120691.cif