Crystallography Open Database

Information card for entry 7039580

Preview

Structure parameters

Formula	C22 H30 N4 O2
Calculated formula	C22 H30 N4 O2
SMILES	N(=O)N(Cc1c(cc(C)cc1C)C)CCN(N=O)Cc1c(cc(C)cc1C)C
Title of publication	Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.
Authors of publication	Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	27
Pages of publication	10979 - 10988
a	4.948 ± 0.0004 Å
b	17.236 ± 0.002 Å
c	12.6051 ± 0.0008 Å
α	90°
β	91.761 ± 0.007°
γ	90°
Cell volume	1074.5 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.137
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.2035
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
301849 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure.	7039580.cif
185403	2016-08-07	cif/ Updating files of 7039575, 7039576, 7039577, 7039578, 7039579, 7039580 Original log message: Adding full bibliography for 7039575--7039580.cif.	7039580.cif
183660	2016-06-17	cif/ Adding structures of 7039575, 7039576, 7039577, 7039578, 7039579, 7039580 via cif-deposit CGI script.	7039580.cif