Crystallography Open Database

Information card for entry 4103884

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Coordinates	4103884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 Cl4 N2 Ru
Calculated formula	C27 H28 Cl4 N2 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	17.1288 ± 0.0009 Å
b	15.8049 ± 0.0008 Å
c	19.861 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5376.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	2.288
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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