Open AccessTetrakis(μ3-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)
Author(s) -
Eduard N. Chygorin,
Yuri O. Smal,
Vladimir N. Kokozay,
Irina V. Omelchenko
Publication year - 2014
Publication title -
acta crystallographica. section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536814000798
Subject(s) - chemistry , ligand (biochemistry) , solvent , crystallography , formamide , molecule , hydrogen bond , hydroxymethyl , cubane , propane , ion , cluster (spacecraft) , stereochemistry , crystal structure , organic chemistry , biochemistry , receptor , computer science , programming language
The title cluster, [Cu4(C11H12N2O6)4], was obtained from the Cu(0)-FeCl2·4H2O-H4 L-Et3N-DMF reaction system (in air), where H4 L is 2-hy-droxy-methyl-2{[(2-hy-droxy-3-nitro-phen-yl)methyl-idene]amino}-propane-1,3-diol and DMF is di-methyl-formamide. The asymmetric unit consists of one Cu(2+) ion and one dianionic ligand; a -4 symmetry element generates the cluster, which contains a {Cu4O4} cubane-like core. The metal ion has an elongated square-based pyramidal CuNO4 coordination geometry with the N atom in a basal site. An intra-molecular O-H⋯O hydrogen bond is observed. The solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155], which indicated a solvent cavity of volume 3131 Å(3) containing approximately 749 electrons. These solvent molecules are not considered in the given chemical formula.