Crystallography Open Database

Information card for entry 4104173

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Coordinates	4104173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H49.5 Cl2 N2 O Ru
Calculated formula	C36.5 H49.5 Cl2 N2 O Ru
Title of publication	Effects of NHC-Backbone Substitution on Efficiency in Ruthenium-Based Olefin Metathesis
Authors of publication	Kevin M. Kuhn; Jean-Baptiste Bourg; Cheol K. Chung; Scott C. Virgil; Robert H. Grubbs
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	5313 - 5320
a	11.5182 ± 0.0008 Å
b	12.3831 ± 0.0008 Å
c	12.4144 ± 0.0008 Å
α	99.737 ± 0.003°
β	92.627 ± 0.004°
γ	92.065 ± 0.004°
Cell volume	1741.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	2.665
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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