Crystallography Open Database

Information card for entry 2241754

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Structure parameters

Chemical name	[(<i>Z</i>)-<i>N</i>-(3-Chlorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I)
Formula	C26 H22 Au Cl N O P S
Calculated formula	C26 H22 Au Cl N O P S
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)S/C(=N\c1cc(Cl)ccc1)OC
Title of publication	A monoclinic polymorph of [(<i>Z</i>)-<i>N</i>-(3-chlorophenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>](triphenylphosphane-κ<i>P</i>)gold(I): crystal structure and Hirshfeld surface analysis
Authors of publication	Yeo, Chien Ing; Tan, Sang Loon; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	8
Pages of publication	1068 - 1073
a	9.0078 ± 0.0004 Å
b	17.4732 ± 0.0007 Å
c	15.5641 ± 0.0007 Å
α	90°
β	97.595 ± 0.004°
γ	90°
Cell volume	2428.22 ± 0.18 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
184288 (current)	2016-07-08	cif/ hkl/ Adding structures of 2241754 via cif-deposit CGI script.	2241754.cif 2241754.hkl