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Abstract
In the title bicyclic trinuclear pyrazolate amino-alcohol complex, [Cu3(C5H7N2)2(C6H14NO3)2]Br2·1.5H2O, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings. It has a coordination number of 4, is in a distorted tetra-hedral environment and is connected by the bridging oxygen atoms of the deprotonated OH groups of different amino-alcohol groups, and by the N atoms of deprotonated di-methyl-pyrazole ligands. The peripheral Cu atom is in a trigonal-bipyramidal coordination environment formed by the nitro-gen atom of the deprotonated bridging di-methyl-pyrazole unit, the bridging oxygen atom of the deprotonated OH group, two oxygen atoms of the protonated hy-droxy groups and the nitro-gen atom of tri-ethano-lamine. One of the C atoms and the Br- anion were found to be disordered over two positions with occupancy factors of 0.808 (9):0.192 (9) and 0.922 (3):0.078 (3), respectively.
Highlights
In the title bicyclic trinuclear pyrazolate aminoalcohol complex, [Cu3(C5H7N2)2(C6H14NO3)2]Br2Á1.5H2O, the central Cu atom lies on a center of symmetry and is involved in the formation of two five-membered rings
The peripheral Cu atom is in a trigonal–bipyramidal coordination environment formed by the nitrogen atom of the deprotonated bridging dimethylpyrazole unit, the bridging oxygen atom of the deprotonated OH group, two oxygen atoms of the protonated hydroxy groups and the nitrogen atom of triethanolamine
As part of our continuing interest in multifunctional transitionmetal complexes with polydentate and polynuclear ligands, we report the synthesis and crystal structure of a new trinuclear copper(II) mixed-ligand complex with triethanolamine and 3,5-dimethylpyrazole
Summary
Coordination compounds of paramagnetic transition-metal complexes with polydentate and polynuclear ligands are of great interest because of their versatile magnetic properties, in particular, magnetic superexchange mediated by ligand-bridging functions (Pavlishchuk et al, 2010, 2011; Strotmeyer et al, 2003; Gumienna-Kontecka et al, 2007) or spin-crossover behavior (Suleimanov et al, 2015; Gural’skiy et al, 2012). Each ring is formed by two copper atoms connected by the bridging oxygen atom of the monodeprotonated triethanolamine and the bridging deprotonated dimethylpyrazole. Cu2 atom (coordination number 4) is in a distorted (flattened) tetrahedral environment and is surrounded by the bridging oxygen atoms of the deprotonated OH groups of different amino alcohol molecules, and by N3 and N3i symmetry code:. Bridging oxygen atoms arise from the coordination of the amino alcohol to a metal atom with the deprotonation of only one OH group. The distances between Cu1 and the oxygen atoms of the deprotonated [Cu1—O1 = 1.930 (2) A ] and protonated [Cu1—O2 = 2.308 (2), Cu1—O3 = 2.060 (3) A ] OH groups are different.
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Schedule a callMore From: Acta crystallographica. Section E, Crystallographic communications
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