Crystallography Open Database

Information card for entry 1515359

Preview

Coordinates	1515359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H20 Ru S
Calculated formula	C12 H20 Ru S
SMILES	[Ru]123456([S](CCC[c]76[cH]1[cH]2[cH]3[cH]4[cH]57)C)(C)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	6.8375 ± 0.0003 Å
b	13.5463 ± 0.0005 Å
c	12.8712 ± 0.0005 Å
α	90°
β	93.878 ± 0.0004°
γ	90°
Cell volume	1189.44 ± 0.08 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 2 K
Number of distinct elements	4
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	0.0179
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0418
Weighted residual factors for all reflections included in the refinement	0.0422
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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