Crystallography Open Database

Information card for entry 4118229

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Structure parameters

Formula	C24 H30 Co N5 O
Calculated formula	C24 H30 Co N5 O
SMILES	[Co]123([N]4=C5C=CC=CC=C5N3CCCCC[N]1=C1C=CC=CC=C1N2CCCCC4)N=O
Title of publication	Influence of Tetraazamacrocyclic Ligands on the Nitric Oxide Reactivity of their Cobalt(II) Complexes
Authors of publication	Julia Kozhukh; Stephen J. Lippard
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	11120 - 11123
a	9.846 ± 0.002 Å
b	11.129 ± 0.002 Å
c	11.284 ± 0.002 Å
α	66.923 ± 0.003°
β	69.839 ± 0.003°
γ	74.74 ± 0.004°
Cell volume	1056 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4118229.cif
178953	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/82.	4118229.cif
75752	2013-03-13	cif/ Adding structures of 4118229 via cif-deposit CGI script.	4118229.cif