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Crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]

The title three-dimensional metal–organic framework (MOF) compound, {(NH(4))(2)[Zn(2)(C(9)H(3)O(6))(2)]·2C(5)H(9)NO}(n), features an anionic framework constructed from Zn(2+) cations and benzene-1,3,5-tri­carboxyl­ate (BTC) organic anions. Charge balance is achieved by outer sphere ammonium cations...

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Autores principales: Ordonez, Carlos, Fonari, Marina S., Wei, Qiang, Timofeeva, Tatiana V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908521/
https://www.ncbi.nlm.nih.gov/pubmed/27308037
http://dx.doi.org/10.1107/S2056989016007027
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author Ordonez, Carlos
Fonari, Marina S.
Wei, Qiang
Timofeeva, Tatiana V.
author_facet Ordonez, Carlos
Fonari, Marina S.
Wei, Qiang
Timofeeva, Tatiana V.
author_sort Ordonez, Carlos
collection PubMed
description The title three-dimensional metal–organic framework (MOF) compound, {(NH(4))(2)[Zn(2)(C(9)H(3)O(6))(2)]·2C(5)H(9)NO}(n), features an anionic framework constructed from Zn(2+) cations and benzene-1,3,5-tri­carboxyl­ate (BTC) organic anions. Charge balance is achieved by outer sphere ammonium cations formed by degradation of di-n-butyl­amine in the solvothermal synthesis of the compound. Binuclear {Zn(2)(COO)(2)} entities act as the framework’s secondary building units. Each Zn(II) atom has a tetrahedral coordination environment with an O(4) set of donor atoms. The three-dimensional framework adopts a rutile-type topology and channels are filled in an alternating fashion with ordered and disordered 1-methyl­pyrrolidin-2-one solvent mol­ecules and ammonium cations. The latter are held in the channels via four N—H⋯O hydrogen bonds, including three with the benzene-1,3,5-tri­carboxyl­ate ligands of the anionic framework and one with a 1-methyl­pyrrolidin-2-one solvent mol­ecule.
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spelling pubmed-49085212016-06-15 Crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate] Ordonez, Carlos Fonari, Marina S. Wei, Qiang Timofeeva, Tatiana V. Acta Crystallogr E Crystallogr Commun Research Communications The title three-dimensional metal–organic framework (MOF) compound, {(NH(4))(2)[Zn(2)(C(9)H(3)O(6))(2)]·2C(5)H(9)NO}(n), features an anionic framework constructed from Zn(2+) cations and benzene-1,3,5-tri­carboxyl­ate (BTC) organic anions. Charge balance is achieved by outer sphere ammonium cations formed by degradation of di-n-butyl­amine in the solvothermal synthesis of the compound. Binuclear {Zn(2)(COO)(2)} entities act as the framework’s secondary building units. Each Zn(II) atom has a tetrahedral coordination environment with an O(4) set of donor atoms. The three-dimensional framework adopts a rutile-type topology and channels are filled in an alternating fashion with ordered and disordered 1-methyl­pyrrolidin-2-one solvent mol­ecules and ammonium cations. The latter are held in the channels via four N—H⋯O hydrogen bonds, including three with the benzene-1,3,5-tri­carboxyl­ate ligands of the anionic framework and one with a 1-methyl­pyrrolidin-2-one solvent mol­ecule. International Union of Crystallography 2016-04-29 /pmc/articles/PMC4908521/ /pubmed/27308037 http://dx.doi.org/10.1107/S2056989016007027 Text en © Ordonez et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Ordonez, Carlos
Fonari, Marina S.
Wei, Qiang
Timofeeva, Tatiana V.
Crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]
title Crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]
title_full Crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]
title_fullStr Crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]
title_full_unstemmed Crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]
title_short Crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]
title_sort crystal structure of poly[bis­(ammonium) [bis­(μ(4)-benzene-1,3,5-tri­carboxyl­ato)dizincate] 1-methyl­pyrrolidin-2-one disolvate]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908521/
https://www.ncbi.nlm.nih.gov/pubmed/27308037
http://dx.doi.org/10.1107/S2056989016007027
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