Crystallography Open Database

Information card for entry 4339818

Preview

Coordinates	4339818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Co F12 N5 O2 P2
Calculated formula	C30 H39 Co F12 N5 O2 P2
SMILES	[Co]12([O]=C(C=[N]1C(C)(C)C)c1ccccc1)([O]=C(C=[N]2C(C)(C)C)c1ccccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
Title of publication	The monoanionic pi-radical redox state of alpha-iminoketones in bis(ligand)metal complexes of nickel and cobalt.
Authors of publication	Lu, Connie C.; Bill, Eckhard; Weyhermüller, Thomas; Bothe, Eberhard; Wieghardt, Karl
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7880 - 7889
a	11.2058 ± 0.0002 Å
b	14.8769 ± 0.0003 Å
c	21.9353 ± 0.0005 Å
α	90°
β	90.3 ± 0.003°
γ	90°
Cell volume	3656.73 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339818.cif
117562	2014-06-15	cif/ Adding structures of 4339815, 4339816, 4339817, 4339818 via cif-deposit CGI script.	4339818.cif