Crystallography Open Database

Information card for entry 4106579

Preview

Coordinates	4106579.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[L(tBu)CoF]2
Formula	C70 H106 Co2 F2 N4
Calculated formula	C70 H106 Co2 F2 N4
Title of publication	A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds
Authors of publication	Thomas R. Dugan; Xianru Sun; Elena V. Rybak-Akimova; Olayinka Olatunji-Ojo; Thomas R. Cundari; Patrick L. Holland
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12418 - 12421
a	24.218 ± 0.002 Å
b	12.1814 ± 0.0012 Å
c	26.222 ± 0.003 Å
α	90°
β	111.373 ± 0.002°
γ	90°
Cell volume	7203.7 ± 1.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0973
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178811 (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 4/10/65.	4106579.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106579.cif
53381	2012-04-19	cif/ Adding structures of 4106579 via cif-deposit CGI script.	4106579.cif