Crystallography Open Database

Information card for entry 4315405

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Coordinates	4315405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H35 Cl3 N4 P2 Ru
Calculated formula	C29.5 H35 Cl3 N4 P2 Ru
Title of publication	Coordinatively Diverse ortho-Phosphinoaniline Complexes of Ruthenium and Isolation of a Putative Intermediate in Ketone Transfer Hydrogenation Catalysis
Authors of publication	Lindsay J. Hounjet; Matthias Bierenstiel; Michael J. Ferguson; Robert McDonald; Martin Cowie
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	4288 - 4300
a	16.7298 ± 0.0014 Å
b	16.5689 ± 0.0014 Å
c	22.2494 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	6167.4 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0742
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	Yes
Has F_obs	No

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