Crystallography Open Database

Information card for entry 7222152

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Structure parameters

Formula	C15 H25 Cu N5 O9
Calculated formula	C15 H25 Cu N5 O9
SMILES	[Cu]12([N](CC[N]32CC[NH2+]CC3)=Cc2c(O1)cc(OC)cc2)ON(=O)=O.O=N(=O)[O-].OC
Title of publication	A family of ligand and anion dependent structurally diverse Cu(II) Schiff-base complexes and their catalytic efficacy in O-arylation reaction in ethanolic medium
Authors of publication	Maity, Tanmoy; Saha, Debraj; Bhunia, Susmita; Brandao, Paula; Das, Soma; Koner, Subratanath
Journal of publication	RSC Adv.
Year of publication	2015
a	12.0035 ± 0.0005 Å
b	9.561 ± 0.0004 Å
c	18.1151 ± 0.0008 Å
α	90°
β	105.715 ± 0.003°
γ	90°
Cell volume	2001.28 ± 0.15 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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.	7222152.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222152.cif
156353	2015-09-16	cif/ Adding structures of 7222146, 7222147, 7222148, 7222149, 7222150, 7222151, 7222152 via cif-deposit CGI script.	7222152.cif