Crystallography Open Database

Information card for entry 4087290

Preview

Coordinates	4087290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H39 Cu F2 N2
Calculated formula	C28 H39 Cu F2 N2
Title of publication	Synthesis, Reactivity, and Catalytic Applications of Isolable (NHC)Cu(CHF2) Complexes
Authors of publication	Bour, James R.; Kariofillis, Stavros K.; Sanford, Melanie S.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	7
Pages of publication	1220
a	33.5944 ± 0.0006 Å
b	18.9208 ± 0.0004 Å
c	16.8763 ± 0.0003 Å
α	90°
β	90.5685 ± 0.0016°
γ	90°
Cell volume	10726.6 ± 0.4 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 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	0.1272
Residual factor for significantly intense reflections	0.117
Weighted residual factors for significantly intense reflections	0.3066
Weighted residual factors for all reflections included in the refinement	0.3136
Goodness-of-fit parameter for all reflections included in the refinement	1.415
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4087290.html