Crystallography Open Database

Information card for entry 7058346

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Coordinates	7058346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 F6 N2 P2 Ru
Calculated formula	C38 H38 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	11.0881 ± 0.0007 Å
b	13.1574 ± 0.0008 Å
c	14.6115 ± 0.0008 Å
α	113.867 ± 0.002°
β	95.538 ± 0.002°
γ	111.568 ± 0.002°
Cell volume	1735.89 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1288
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	No
Has F_obs	No

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