Crystallography Open Database

Information card for entry 4339817

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Coordinates	4339817.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 Co N2 O2
Calculated formula	C24 H30 Co N2 O2
SMILES	C1(C=[N]([Co]2([O]=1)[N](=CC(c1ccccc1)=[O]2)C(C)(C)C)C(C)(C)C)c1ccccc1
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	10.3003 ± 0.0005 Å
b	11.1678 ± 0.0005 Å
c	18.7003 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2151.13 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	4339817.cif
117562	2014-06-15	cif/ Adding structures of 4339815, 4339816, 4339817, 4339818 via cif-deposit CGI script.	4339817.cif