Crystallography Open Database

Information card for entry 8105460

Preview

Coordinates	8105460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Au Cl N O P S
Calculated formula	C28 H26 Au Cl N O P S
SMILES	[Au](SC(=N\c1ccc(Cl)cc1)/OC(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of [(Z)-O-isopropyl N-(4-chlorophenyl)thiocarbamato-κS]-(triphenylphosphine-κP)-gold(I), C28H26AuClNOPS
Authors of publication	Yeo, Chien Ing; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1339 - 1341
a	9.7445 ± 0.0003 Å
b	12.4105 ± 0.0004 Å
c	21.9727 ± 0.0009 Å
α	90°
β	100.113 ± 0.001°
γ	90°
Cell volume	2615.96 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0428
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
276166 (current)	2022-06-23	cif/ Adding structures of 8105460 via cif-deposit CGI script.	8105460.cif