Crystallography Open Database

Information card for entry 4103883

Preview

Coordinates	4103883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H30 Cl2 N2 O Ru
Calculated formula	C27 H30 Cl2 N2 O Ru
Title of publication	Conformations of N-Heterocyclic Carbene Ligands in Ruthenium Complexes Relevant to Olefin Metathesis
Authors of publication	Ian C. Stewart; Diego Benitez; Daniel J. O'Leary; Ekaterina Tkatchouk; Michael W. Day; William A. Goddard; Robert H. Grubbs
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	1931 - 1938
a	11.5794 ± 0.0003 Å
b	13.935 ± 0.0004 Å
c	16.6418 ± 0.0005 Å
α	90°
β	105.578 ± 0.001°
γ	90°
Cell volume	2586.66 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.35
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4103883.html