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Crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(II)copper(II)]

In the title complex, [Ca(2)Cu(C(9)H(3)O(6))(2)(H(2)O)(2)](n), the Ca(II) and Cu(II) cations are bridged by the benzene-1,3,5-tri­carboxyl­ate anions (BTC(3−)) to form the coordination polymer, in which each BTC(3−) anion bridges two Cu(II) and five Ca(II) cations with a μ(7) coordination mode. The...

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Autores principales: Zhang, Feng, Zhang, Bing-Guang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458304/
https://www.ncbi.nlm.nih.gov/pubmed/28638639
http://dx.doi.org/10.1107/S205698901700665X
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author Zhang, Feng
Zhang, Bing-Guang
author_facet Zhang, Feng
Zhang, Bing-Guang
author_sort Zhang, Feng
collection PubMed
description In the title complex, [Ca(2)Cu(C(9)H(3)O(6))(2)(H(2)O)(2)](n), the Ca(II) and Cu(II) cations are bridged by the benzene-1,3,5-tri­carboxyl­ate anions (BTC(3−)) to form the coordination polymer, in which each BTC(3−) anion bridges two Cu(II) and five Ca(II) cations with a μ(7) coordination mode. The Cu(II) cation, located at an inversion centre, is in a nearly square-planar geometry defined by four O atoms from four bridging BTC(3−) anions, while the Ca(II) cation is in a distorted octa­hedral geometry defined by five O atoms from bridging BTC(3−) anions and one water mol­ecule. O—H⋯O hydrogen bonds between coordinating water mol­ecules and carboxyl groups further stabilize the structure; π–π stacking is also observed between parallel benzene rings, the centroid-to-centroid distance being 3.357 (2) Å.
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spelling pubmed-54583042017-06-21 Crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(II)copper(II)] Zhang, Feng Zhang, Bing-Guang Acta Crystallogr E Crystallogr Commun Research Communications In the title complex, [Ca(2)Cu(C(9)H(3)O(6))(2)(H(2)O)(2)](n), the Ca(II) and Cu(II) cations are bridged by the benzene-1,3,5-tri­carboxyl­ate anions (BTC(3−)) to form the coordination polymer, in which each BTC(3−) anion bridges two Cu(II) and five Ca(II) cations with a μ(7) coordination mode. The Cu(II) cation, located at an inversion centre, is in a nearly square-planar geometry defined by four O atoms from four bridging BTC(3−) anions, while the Ca(II) cation is in a distorted octa­hedral geometry defined by five O atoms from bridging BTC(3−) anions and one water mol­ecule. O—H⋯O hydrogen bonds between coordinating water mol­ecules and carboxyl groups further stabilize the structure; π–π stacking is also observed between parallel benzene rings, the centroid-to-centroid distance being 3.357 (2) Å. International Union of Crystallography 2017-05-12 /pmc/articles/PMC5458304/ /pubmed/28638639 http://dx.doi.org/10.1107/S205698901700665X Text en © Zhang and Zhang 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Zhang, Feng
Zhang, Bing-Guang
Crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(II)copper(II)]
title Crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(II)copper(II)]
title_full Crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(II)copper(II)]
title_fullStr Crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(II)copper(II)]
title_full_unstemmed Crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(II)copper(II)]
title_short Crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(II)copper(II)]
title_sort crystal structure of a heterometallic coordination polymer: poly[di­aqua­bis­(μ(7)-benzene-1,3,5-tri­carboxyl­ato)dicalcium(ii)copper(ii)]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5458304/
https://www.ncbi.nlm.nih.gov/pubmed/28638639
http://dx.doi.org/10.1107/S205698901700665X
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