Crystallography Open Database

Information card for entry 1515358

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Coordinates	1515358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 Cl2 Ru S
Calculated formula	C10 H14 Cl2 Ru S
SMILES	[Ru]123456(Cl)(Cl)[S](CCC[c]76[cH]5[cH]4[cH]3[cH]2[cH]17)C
Title of publication	Direct observation of a cationic ruthenium complex for ethylene insertion polymerization
Authors of publication	Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	7
Pages of publication	2902
a	7.0069 ± 0.0004 Å
b	12.8404 ± 0.0007 Å
c	12.4298 ± 0.0007 Å
α	90°
β	92.9276 ± 0.0005°
γ	90°
Cell volume	1116.87 ± 0.11 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
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	0.0163
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0413
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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