Crystallography Open Database

Information card for entry 4115372

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Coordinates	4115372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H47 Cl N2 P2 Ru
Calculated formula	C42 H47 Cl N2 P2 Ru
Title of publication	Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes
Authors of publication	Kamaluddin Abdur-Rashid; Sean E. Clapham; Alen Hadzovic; Jeremy N. Harvey; Alan J. Lough; Robert H. Morris
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	15104 - 15118
a	18.3194 ± 0.0003 Å
b	11.6991 ± 0.0002 Å
c	19.5426 ± 0.0004 Å
α	90°
β	115.994 ± 0.001°
γ	90°
Cell volume	3764.68 ± 0.12 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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