Crystallography Open Database

Information card for entry 2241850

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Structure parameters

Chemical name	[(<i>Z</i>-<i>N</i>-(2-methylphenyl)-<i>O</i>-methylthiocarbamato-κ<i>S</i>)(triphenylphosphane)-κ<i>P</i>]gold(I)
Formula	C27 H25 Au N O P S
Calculated formula	C27 H25 Au N O P S
SMILES	[Au](SC(=N\c1c(cccc1)C)/OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A non-solvated form of [(<i>Z</i>-<i>N</i>-(2-methylphenyl)-<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	10
Pages of publication	1446 - 1452
a	9.3884 ± 0.0008 Å
b	10.061 ± 0.0008 Å
c	13.3572 ± 0.0011 Å
α	96.194 ± 0.001°
β	102.487 ± 0.001°
γ	99.443 ± 0.001°
Cell volume	1201.6 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
186608 (current)	2016-09-17	cif/ hkl/ Adding structures of 2241850 via cif-deposit CGI script.	2241850.cif 2241850.hkl