Crystallography Open Database

Information card for entry 4116097

Preview

Coordinates	4116097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Au N S
Calculated formula	C12 H16 Au N S
Title of publication	Formation of a Novel Luminescent Form of Gold(I) Phenylthiolate via Self-Assembly and Decomposition of Isonitrilegold(I) Phenylthiolate Complexes
Authors of publication	Robert E. Bachman; Sheri A. Bodolosky-Bettis; Shana C. Glennon; Scott A. Sirchio
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	7146 - 7147
a	5.5295 ± 0.0004 Å
b	7.6073 ± 0.0005 Å
c	16.6967 ± 0.0012 Å
α	89.053 ± 0.001°
β	80.533 ± 0.001°
γ	69.071 ± 0.001°
Cell volume	646.39 ± 0.08 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178931 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/60.	4116097.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116097.cif
70674	2013-01-03	cif/ Adding structures of 4116097 via cif-deposit CGI script.	4116097.cif