Crystallography Open Database

Information card for entry 4103862

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Coordinates	4103862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H78 N2 O2 P2 Ru
Calculated formula	C68 H78 N2 O2 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	11.753 ± 0.0001 Å
b	12.48 ± 0.0001 Å
c	39.072 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5730.98 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P 21 c n
Hall space group symbol	P -2n 2a
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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