Title of article :
The first structural characterization of the proton­ated aza­cyclam ligand in catena-poly[[(perchlorato)copper(II)]-μ-3-(3-carb­­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­deca­ne] bis­­(per­chlorate)]
Author/Authors :
Tsymbal, Liudmyla V. L.V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Ukraine , Arion, Vladimir B. Institute of Inorganic Chemistry of the University of Vienna, Austria , Lampeka, Yaroslaw D. L.V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Ukraine
Pages :
13
From page :
1
To page :
13
Abstract :
The asymmetric unit of the title com­pound, catena-poly[[(perchlorato-κO)copper(II)]-μ-3-(3-carb­oxy­prop­yl)-1,5,8,12-tetra­aza-3-azonia­cyclo­tetra­decane-κ4N1,N5,N8,N12] bis­(per­chlorate)], {[Cu(C13H30N5O2)(ClO4)](ClO4)2}n, (I), consists of a macrocyclic cation, one coordinated per­chlorate anion and two per­chlorate ions as counter-anions. The metal ion is coordinated in a tetra­gonally distorted octa­hedral geometry by the four secondary N atoms of the macrocyclic ligand, the mutually trans O atoms of the per­chlorate anion and the carbonyl O atom of the protonated carb­oxy­lic acid group of a neighbouring cation. The average equatorial Cu—N bond lengths [2.01 (6) Å] are significantly shorter than the axial Cu—O bond lengths [2.379 (8) Å for carboxyl­ate and average 2.62 (7) Å for disordered per­chlorate]. The coordinated macrocyclic ligand in (I) adopts the most energetically favourable trans-III conformation with an equatorial orientation of the substituent at the protonated distal 3-position N atom in a six-membered chelate ring. The coordination of the carb­oxy­lic acid group of the cation to a neighbouring com­plex unit results in the formation of infinite chains running along the b-axis direction, which are cross­linked by N—H⋯O hydrogen bonds between the secondary amine groups of the macrocycle and O atoms of the per­chlorate counter-anions to form sheets lying parallel to the (001) plane. Additionally, the extended structure of (I) is consolidated by numerous intra- and interchain C—H⋯O contacts.
Keywords :
crystal structure , aza­macrocyclic ligand , aza­cyclam , coordination polymer , hydrogen bonds
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2019
Full Text URL :
Record number :
2625050
Link To Document :
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