Crystallography Open Database

Information card for entry 4066018

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Coordinates	4066018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H49 P3 Ru
Calculated formula	C45.5 H45 P3 Ru
Title of publication	Carbon−Hydrogen Bond Cleavage Reaction in 5-Coordinate Bis(2,6-dimethylbenzenethiolato)ruthenium(II) Complexes
Authors of publication	Hirano, Masafumi; Togashi, Sayaka; Ito, Muneaki; Sakaguchi, Yuko; Komine, Nobuyuki; Komiya, Sanshiro
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	14
Pages of publication	3146
a	17.822 ± 0.012 Å
b	17.854 ± 0.013 Å
c	25.904 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	8242 ± 9 Å³
Cell temperature	293.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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