Crystallography Open Database

Information card for entry 2311423

Preview

Coordinates	2311423.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	{<i>O</i>-Ethyl <i>N</i>-(4-nitrophenyl)thiocarbamato-κ<i>S</i>}(tri-4-tolylphosphane-κ<i>P</i>)gold(I)
Formula	C30 H30 Au N2 O3 P S
Calculated formula	C30 H30 Au N2 O3 P S
SMILES	[Au](S/C(=N\c1ccc(N(=O)=O)cc1)OCC)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	New monoclinic form of {<i>O</i>-Ethyl <i>N</i>-(4-nitro-phen-yl)thio-carbamato-κ<i>S</i>}(tri-4-tolyl-phosphane-κ<i>P</i>)gold(I): crystal structure and Hirshfeld surface analysis.
Authors of publication	Kuan, Fong Sheen; Jotani, Mukesh M.; Tiekink, Edward R. T.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	1465 - 1471
a	9.8815 ± 0.0006 Å
b	14.0448 ± 0.0009 Å
c	21.2332 ± 0.0013 Å
α	90°
β	99.924 ± 0.002°
γ	90°
Cell volume	2902.7 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
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	0.0429
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245873 (current)	2019-12-25	cif/ Adding structures of 2311423 via cif-deposit CGI script.	2311423.cif