Crystallography Open Database

Information card for entry 7033116

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Coordinates	7033116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H46 Cl3 N3 O P2 Ru
Calculated formula	C53.251 H44 Cl3.502 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	11.4773 ± 0.0004 Å
b	13.5733 ± 0.0005 Å
c	16.1112 ± 0.0006 Å
α	88.1 ± 0.002°
β	84.383 ± 0.001°
γ	68.53 ± 0.001°
Cell volume	2324.49 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0492
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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