Crystallography Open Database

Information card for entry 7033114

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Coordinates	7033114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H79 Cl F3 N3 P2 Ru
Calculated formula	C53 H79 Cl F3 N3 P2 Ru
Title of publication	1,2,3-Triazolylidene ruthenium(ii)-cyclometalated complexes and olefin selective hydrogenation catalysis.
Authors of publication	Bagh, Bidraha; McKinty, Adam M.; Lough, Alan J.; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	6
Pages of publication	2712 - 2723
a	47.5913 ± 0.0018 Å
b	12.0866 ± 0.0004 Å
c	18.8343 ± 0.0007 Å
α	90°
β	109.133 ± 0.002°
γ	90°
Cell volume	10235.4 ± 0.7 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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