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

The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))nickel(II)]-μ-4,4′-(di­phenyl­silanedi­yl)dibenz­o­ato-κ(2) O:O′] sesquihydrate], {[Ni(C(26)H(18)O(4)Si)(C(10)H(24)N(4))]·1.5H(2)O}(n), consists of the halves of the centrosy...

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Autores principales: Gavrish, Sergey P., Shova, Sergiu, Cazacu, Maria, Lampeka, Yaroslaw D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7274011/
https://www.ncbi.nlm.nih.gov/pubmed/32523766
http://dx.doi.org/10.1107/S2056989020006544
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author Gavrish, Sergey P.
Shova, Sergiu
Cazacu, Maria
Lampeka, Yaroslaw D.
author_facet Gavrish, Sergey P.
Shova, Sergiu
Cazacu, Maria
Lampeka, Yaroslaw D.
author_sort Gavrish, Sergey P.
collection PubMed
description The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))nickel(II)]-μ-4,4′-(di­phenyl­silanedi­yl)dibenz­o­ato-κ(2) O:O′] sesquihydrate], {[Ni(C(26)H(18)O(4)Si)(C(10)H(24)N(4))]·1.5H(2)O}(n), consists of the halves of the centrosymmetric macrocyclic cation and the C (2)-symmetric di­carboxyl­ate dianion and of the water mol­ecule of crystallization. The Ni(2+) 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 carboxyl­ate, forming a slightly tetra­gonally elongated trans-N(4)O(2) octa­hedron. 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 mol­ecules providing O—H⋯O hydrogen bonds to the non-coordinated carboxyl O atoms to form a three-dimensional supra­molecular network.
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spelling pubmed-72740112020-06-09 Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)](2+) cation and the dianion of di­phenyl­silanediylbis(4-benzoic acid) Gavrish, Sergey P. Shova, Sergiu Cazacu, Maria Lampeka, Yaroslaw D. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))nickel(II)]-μ-4,4′-(di­phenyl­silanedi­yl)dibenz­o­ato-κ(2) O:O′] sesquihydrate], {[Ni(C(26)H(18)O(4)Si)(C(10)H(24)N(4))]·1.5H(2)O}(n), consists of the halves of the centrosymmetric macrocyclic cation and the C (2)-symmetric di­carboxyl­ate dianion and of the water mol­ecule of crystallization. The Ni(2+) 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 carboxyl­ate, forming a slightly tetra­gonally elongated trans-N(4)O(2) octa­hedron. 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 mol­ecules providing O—H⋯O hydrogen bonds to the non-coordinated carboxyl O atoms to form a three-dimensional supra­molecular network. International Union of Crystallography 2020-05-29 /pmc/articles/PMC7274011/ /pubmed/32523766 http://dx.doi.org/10.1107/S2056989020006544 Text en © Gavrish et al. 2020 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Gavrish, Sergey P.
Shova, Sergiu
Cazacu, Maria
Lampeka, Yaroslaw D.
Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)](2+) cation and the dianion of di­phenyl­silanediylbis(4-benzoic acid)
title Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)](2+) cation and the dianion of di­phenyl­silanediylbis(4-benzoic acid)
title_full Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)](2+) cation and the dianion of di­phenyl­silanediylbis(4-benzoic acid)
title_fullStr Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)](2+) cation and the dianion of di­phenyl­silanediylbis(4-benzoic acid)
title_full_unstemmed Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)](2+) cation and the dianion of di­phenyl­silanediylbis(4-benzoic acid)
title_short Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)](2+) cation and the dianion of di­phenyl­silanediylbis(4-benzoic acid)
title_sort crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [ni(cyclam)](2+) cation and the dianion of di­phenyl­silanediylbis(4-benzoic acid)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7274011/
https://www.ncbi.nlm.nih.gov/pubmed/32523766
http://dx.doi.org/10.1107/S2056989020006544
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