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Crystal structure of [NaZn(BTC)(H(2)O)(4)]·1.5H(2)O (BTC = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound

The title coordination polymer, poly[[μ-aqua-tri­aqua­(μ(3)-benzene-1,3,5-tri­carboxyl­ato)sodiumzinc] sesquihydrate], {[NaZn(C(9)H(3)O(6))(H(2)O)(4)]·1.5H(2)O}(n), was obtained in ionic liquid microemulsion at room temperture by the reaction of benzene-1,3,5-tri­carb­oxy­lic acid (H(3)BTC) with Zn(...

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Detalles Bibliográficos
Autores principales: Ni, Min, Li, Quanle, Chen, Hao, Li, Shengqing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518996/
https://www.ncbi.nlm.nih.gov/pubmed/26279893
http://dx.doi.org/10.1107/S2056989015012001
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author Ni, Min
Li, Quanle
Chen, Hao
Li, Shengqing
author_facet Ni, Min
Li, Quanle
Chen, Hao
Li, Shengqing
author_sort Ni, Min
collection PubMed
description The title coordination polymer, poly[[μ-aqua-tri­aqua­(μ(3)-benzene-1,3,5-tri­carboxyl­ato)sodiumzinc] sesquihydrate], {[NaZn(C(9)H(3)O(6))(H(2)O)(4)]·1.5H(2)O}(n), was obtained in ionic liquid microemulsion at room temperture by the reaction of benzene-1,3,5-tri­carb­oxy­lic acid (H(3)BTC) with Zn(NO(3))(2)·6H(2)O in the presence of NaOH. The asymmetric unit comprises two Na(+) ions (each located on an inversion centre), one Zn(2+) ion, one BTC ligand, four coordinating water mol­ecules and two solvent water molecules, one of which is disordered about an inversion centre and shows half-occupation. The Zn(2+) cation is five-coordinated by two carboxyl­ate O atoms from two different BTC ligands and three coordinating H(2)O mol­ecules; the Zn—O bond lengths are in the range 1.975 (2)–2.058 (3) Å. The Na(+) cations are six-coordinated but have different arrangements of the ligands: one is bound to two carboxyl­ate O atoms of two BTC ligands and four O atoms from four coordinating H(2)O mol­ecules while the other is bound by four carboxyl­ate O atoms from four BTC linkers and two O atoms of coordinating H(2)O mol­ecules. The completely deprotonated BTC ligand acts as a bridging ligand binding the Zn(2+) atom and Na(+) ions, forming a layered structure extending parallel to (100). An intricate network of O—H⋯O hydrogen bonds is present within and between the layers.
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spelling pubmed-45189962015-08-14 Crystal structure of [NaZn(BTC)(H(2)O)(4)]·1.5H(2)O (BTC = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound Ni, Min Li, Quanle Chen, Hao Li, Shengqing Acta Crystallogr E Crystallogr Commun Data Reports The title coordination polymer, poly[[μ-aqua-tri­aqua­(μ(3)-benzene-1,3,5-tri­carboxyl­ato)sodiumzinc] sesquihydrate], {[NaZn(C(9)H(3)O(6))(H(2)O)(4)]·1.5H(2)O}(n), was obtained in ionic liquid microemulsion at room temperture by the reaction of benzene-1,3,5-tri­carb­oxy­lic acid (H(3)BTC) with Zn(NO(3))(2)·6H(2)O in the presence of NaOH. The asymmetric unit comprises two Na(+) ions (each located on an inversion centre), one Zn(2+) ion, one BTC ligand, four coordinating water mol­ecules and two solvent water molecules, one of which is disordered about an inversion centre and shows half-occupation. The Zn(2+) cation is five-coordinated by two carboxyl­ate O atoms from two different BTC ligands and three coordinating H(2)O mol­ecules; the Zn—O bond lengths are in the range 1.975 (2)–2.058 (3) Å. The Na(+) cations are six-coordinated but have different arrangements of the ligands: one is bound to two carboxyl­ate O atoms of two BTC ligands and four O atoms from four coordinating H(2)O mol­ecules while the other is bound by four carboxyl­ate O atoms from four BTC linkers and two O atoms of coordinating H(2)O mol­ecules. The completely deprotonated BTC ligand acts as a bridging ligand binding the Zn(2+) atom and Na(+) ions, forming a layered structure extending parallel to (100). An intricate network of O—H⋯O hydrogen bonds is present within and between the layers. International Union of Crystallography 2015-06-27 /pmc/articles/PMC4518996/ /pubmed/26279893 http://dx.doi.org/10.1107/S2056989015012001 Text en © Ni et al. 2015 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 Data Reports
Ni, Min
Li, Quanle
Chen, Hao
Li, Shengqing
Crystal structure of [NaZn(BTC)(H(2)O)(4)]·1.5H(2)O (BTC = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound
title Crystal structure of [NaZn(BTC)(H(2)O)(4)]·1.5H(2)O (BTC = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound
title_full Crystal structure of [NaZn(BTC)(H(2)O)(4)]·1.5H(2)O (BTC = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound
title_fullStr Crystal structure of [NaZn(BTC)(H(2)O)(4)]·1.5H(2)O (BTC = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound
title_full_unstemmed Crystal structure of [NaZn(BTC)(H(2)O)(4)]·1.5H(2)O (BTC = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound
title_short Crystal structure of [NaZn(BTC)(H(2)O)(4)]·1.5H(2)O (BTC = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound
title_sort crystal structure of [nazn(btc)(h(2)o)(4)]·1.5h(2)o (btc = benzene-1,3,5-tri­carb­oxy­l­ate): a heterometallic coordination compound
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518996/
https://www.ncbi.nlm.nih.gov/pubmed/26279893
http://dx.doi.org/10.1107/S2056989015012001
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