Crystallography Open Database

Information card for entry 7060340

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Coordinates	7060340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 Co2 F6 N4
Calculated formula	C40 H48 Co2 F6 N4
Title of publication	C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes
Authors of publication	Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	33
Pages of publication	14999 - 15016
a	16.153 ± 0.005 Å
b	18.523 ± 0.005 Å
c	12.963 ± 0.003 Å
α	90°
β	95.84 ± 0.03°
γ	90°
Cell volume	3858.4 ± 1.8 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
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	0.0483
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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