Crystallography Open Database

Information card for entry 4102525

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Coordinates	4102525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H62 N2 P2 Ru
Calculated formula	C34 H62 N2 P2 Ru
Title of publication	Ruthenium-Catalyzed Hydrogenation of Nitriles: Insights into the Mechanism
Authors of publication	Rebeca Reguillo; Mary Grellier; Nicolas Vautravers; Laure Vendier; Sylviane Sabo-Etienne
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	7854 - 7855
a	9.586 ± 0.0006 Å
b	16.484 ± 0.0007 Å
c	21.679 ± 0.001 Å
α	90°
β	95.596 ± 0.004°
γ	90°
Cell volume	3409.3 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0385
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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