Crystallography Open Database

Information card for entry 4107433

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Coordinates	4107433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 Cl2 N O Ru S
Calculated formula	C22 H25 Cl2 N O Ru S
SMILES	[Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(C(=C(S1)C)C)c1ccccc1C
Title of publication	Synthesis and Activity of Ruthenium Olefin Metathesis Catalysts Coordinated with Thiazol-2-ylidene Ligands
Authors of publication	Georgios C. Vougioukalakis; Robert H. Grubbs
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2234 - 2245
a	9.7492 ± 0.0003 Å
b	11.2812 ± 0.0004 Å
c	20.1232 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2213.2 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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