Crystallography Open Database

Information card for entry 4121305

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Coordinates	4121305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Co F6 P
Calculated formula	C21 H18 Co F6 P
Title of publication	Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products
Authors of publication	Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18296 - 18299
a	10.1591 ± 0.0005 Å
b	11.2991 ± 0.0005 Å
c	16.6717 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1913.72 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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