Crystallography Open Database

Information card for entry 4076741

Preview

Coordinates	4076741.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ru(Sxylyl)3(MeCN)Cl]?
Formula	C26 H30 Cl N Ru S3
Calculated formula	C26 H30 Cl N Ru S3
SMILES	c1(c(cccc1C)C)S[Ru](Cl)([N]#CC)(Sc1c(cccc1C)C)Sc1c(cccc1C)C
Title of publication	σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates
Authors of publication	Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	19
Pages of publication	4017
a	11.0214 ± 0.0008 Å
b	15.2185 ± 0.0011 Å
c	16.4208 ± 0.0012 Å
α	90°
β	102.148 ± 0.001°
γ	90°
Cell volume	2692.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.061
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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