Crystallography Open Database

Information card for entry 7038103

Preview

Coordinates	7038103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 N2 O3 Ru
Calculated formula	C32 H40 N2 O3 Ru
SMILES	[Ru]12(OCC[O]1CCO2)(=C1N(CCN1c1c(C)cc(C)cc1C)c1c(cc(C)cc1C)C)=Cc1ccccc1
Title of publication	Ru Alkylidene Compounds Bearing Tridentate, Dianionic Ligands: Lewis Acid Activation and Olefin Metathesis
Authors of publication	McKinty, Adam; Stephan, Douglas W.
Journal of publication	Dalton Trans.
Year of publication	2016
a	9.6299 ± 0.0006 Å
b	14.408 ± 0.001 Å
c	21.2995 ± 0.0014 Å
α	90°
β	95.679 ± 0.004°
γ	90°
Cell volume	2940.7 ± 0.3 Å³
Cell temperature	149 K
Ambient diffraction temperature	149.69 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.0395
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7038103.html