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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).

ABSTRACT: The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetra-aza-cyclo-tetra-decane-?4 N 1,N 4,N 8,N 11)nickel(II)]-?-4,4'-(di-phenyl-silanedi-yl)dibenz-o-ato-?2 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.

SUBMITTER: Gavrish SP 

PROVIDER: S-EPMC7274011 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

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

Gavrish Sergey P SP   Shova Sergiu S   Cazacu Maria M   Lampeka Yaroslaw D YD  

Acta crystallographica. Section E, Crystallographic communications 20200529 Pt 6

The asymmetric unit of the title compound, <i>catena</i>-poly[[[(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ<sup>4</sup> <i>N</i> <sup>1</sup>,<i>N</i> <sup>4</sup>,<i>N</i> <sup>8</sup>,<i>N</i> <sup>11</sup>)nickel(II)]-μ-4,4'-(di-phenyl-silanedi-yl)dibenz-o-ato-κ<sup>2</sup> <i>O</i>:<i>O</i>'] sesquihydrate], {[Ni(C<sub>26</sub>H<sub>18</sub>O<sub>4</sub>Si)(C<sub>10</sub>H<sub>24</sub>N<sub>4</sub>)]·1.5H<sub>2</sub>O} <sub><i>n</i></sub> , consists of the halves of the centrosymmetric macrocyc  ...[more]

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