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Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]2+ cation and the dianion of di-phenyl-silanediylbis(4-benzoic acid).

Sergey P GavrishSergiu ShovaMaria CazacuYaroslaw D Lampeka
Published in: Acta crystallographica. Section E, Crystallographic communications (2020)
The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)nickel(II)]-μ-4,4'-(di-phenyl-silanedi-yl)dibenz-o-ato-κ2 O:O'] sesquihydrate], {[Ni(C26H18O4Si)(C10H24N4)]·1.5H2O} n , consists of the halves of the centrosymmetric macrocyclic cation and the C 2-symmetric di-carboxyl-ate dianion and of the water mol-ecule of crystallization. The Ni2+ ion is coordinated by the four secondary N atoms of the macrocyclic ligand characterized by the most energetically favourable trans-III conformation and two mutually trans O atoms of the carboxyl-ate, forming a slightly tetra-gonally elongated trans-N4O2 octa-hedron. The crystals are composed of parallel polymeric chains of the macrocyclic cations linked by the anions of the acid running along the [101] direction. Each polymeric chain is bonded to four neighbouring ones via water mol-ecules providing O-H⋯O hydrogen bonds to the non-coordinated carboxyl O atoms to form a three-dimensional supra-molecular network.
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