Crystallography Open Database

Information card for entry 7058343

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Coordinates	7058343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 Cl2 F6 N2 P2 Ru
Calculated formula	C38 H38 Cl2 F6 N2 P2 Ru
Title of publication	Tandem transfer hydrogenation‒epoxidation of ketone substrates catalysed by alkene-tethered Ru(ii)‒NHC complexes
Authors of publication	Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Landman, Marilé
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	22
Pages of publication	8472
a	13.86 ± 0.0006 Å
b	13.9831 ± 0.0007 Å
c	18.9389 ± 0.0009 Å
α	90°
β	93.545 ± 0.002°
γ	90°
Cell volume	3663.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0678
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.178
Weighted residual factors for all reflections included in the refinement	0.1895
Goodness-of-fit parameter for all reflections included in the refinement	1.535
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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