Crystallography Open Database

Information card for entry 4103865

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Coordinates	4103865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H61 F N2 O2 P Ru
Calculated formula	C50 H54 F N2 O2 P 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	14.79 ± 0.0002 Å
b	17.245 ± 0.0002 Å
c	18.349 ± 0.0003 Å
α	90°
β	103.615 ± 0.001°
γ	90°
Cell volume	4548.47 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0625
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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