Crystallography Open Database

Information card for entry 4103861

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Coordinates	4103861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H58 N2 O P2 Ru
Calculated formula	C58 H58 N2 O P2 Ru
Title of publication	Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes
Authors of publication	Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	1847 - 1861
a	11.305 ± 0.0002 Å
b	11.897 ± 0.0003 Å
c	20.774 ± 0.0006 Å
α	96.212 ± 0.001°
β	96.477 ± 0.001°
γ	118 ± 0.002°
Cell volume	2409.5 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.067
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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