Crystallography Open Database

Information card for entry 4124821

Preview

Coordinates	4124821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Co F6 P
Calculated formula	C25 H20 Co F6 P
SMILES	[Co]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(F)([cH]5[cH]1[cH]2[cH]3[cH]45)C(F)(F)C(F)(F)F
Title of publication	Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation.
Authors of publication	Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	51
Pages of publication	16064 - 16073
a	9.5767 ± 0.0002 Å
b	10.2062 ± 0.0002 Å
c	11.8202 ± 0.0003 Å
α	85.8132 ± 0.0011°
β	87.6375 ± 0.0011°
γ	69.3572 ± 0.001°
Cell volume	1078.12 ± 0.04 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
173455 (current)	2016-01-05	cif/ Adding structures of 4124821 via cif-deposit CGI script.	4124821.cif