Crystallography Open Database

Information card for entry 4088370

Preview

Coordinates	4088370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H49 Cl4 F6 N2 P Ru
Calculated formula	C41 H49 Cl4 F6 N2 P Ru
Title of publication	N-Trifluoromethyl NHC Ligands Provide Selective Ruthenium Metathesis Catalysts
Authors of publication	Engl, Pascal S.; Fedorov, Alexey; Copéret, Christophe; Togni, Antonio
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	6
Pages of publication	887
a	10.3182 ± 0.0006 Å
b	13.869 ± 0.0007 Å
c	15.4984 ± 0.0009 Å
α	86.204 ± 0.002°
β	75.373 ± 0.002°
γ	75.216 ± 0.002°
Cell volume	2074.9 ± 0.2 Å³
Cell temperature	103 K
Ambient diffraction temperature	103.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0654
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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