Crystallography Open Database

Information card for entry 7058342

Preview

Coordinates	7058342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15.5 H16 I1.5 N P0.5 Ru0.5
Calculated formula	C15.5 H16 I1.5 N P0.5 Ru0.5
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	9.4358 ± 0.0017 Å
b	9.7889 ± 0.0019 Å
c	18.948 ± 0.004 Å
α	91.365 ± 0.006°
β	94.352 ± 0.006°
γ	114.451 ± 0.005°
Cell volume	1585.7 ± 0.5 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	0.0286
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0444
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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