Crystallography Open Database

Information card for entry 4103864

Preview

Coordinates	4103864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H48 F N2 O2 P Ru
Calculated formula	C47 H48 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	44.345 ± 0.0005 Å
b	13.664 ± 0.0001 Å
c	13.479 ± 0.0001 Å
α	90°
β	93.837 ± 0.001°
γ	90°
Cell volume	8149.02 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178784 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38.	4103864.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103864.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103864.cif
28340	2011-10-25	../uploads/cif-deposit/cod/cif Adding structures of 4103864 via cif-deposit CGI script.	4103864.cif