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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(...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4518996 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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