Crystallography Open Database

Information card for entry 7222283

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Structure parameters

Formula	C16 H20 Cl Cu N3 O7
Calculated formula	C16 H20 Cl Cu N3 O7
SMILES	[Cu]12([N](=C(C3=C(O1)C=C(OC3=O)C)C)CC([NH2]2)C)[n]1ccccc1.Cl(=O)(=O)(=O)[O-]
Title of publication	A novel unsymmetrical tetradentate copper (II)-Schiff base complex: Synthesis, Crystal structure, Electrochemical, Morphological and Electrocatalytic behaviors towards electroreduction of alkyl and aryl halides
Authors of publication	AGGOUN, Djouhra; OURARI, Ali; DERAFA, Wassila
Journal of publication	RSC Adv.
Year of publication	2015
a	11.051 Å
b	15.58 Å
c	21.736 Å
α	90°
β	90°
γ	90°
Cell volume	3742.39 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7222283.cif
158252	2015-09-23	cif/ Adding structures of 7222283 via cif-deposit CGI script.	7222283.cif