Cargando…

Bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­copper(II)

The title compound, (C(8)H(20)N)(2)[Cu(5)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(2)], abbreviated as (TEA)(2)[Cu(II)(12-MC(Cu(II)) (N(shi))-4](DMF)(2) [where TEA is tetra­ethyl­ammonium, shi(3−) is salicyl­hydroximate (or N,2-dioxidobenzene-1-carboximidate) and DMF is N,N-dimethyl­formamide], contains five C...

Descripción completa

Detalles Bibliográficos
Autores principales: Herring, Jacob, Zeller, Matthias, Zaleski, Curtis M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099866/
https://www.ncbi.nlm.nih.gov/pubmed/21753949
http://dx.doi.org/10.1107/S1600536811007975
_version_ 1782204103599849472
author Herring, Jacob
Zeller, Matthias
Zaleski, Curtis M.
author_facet Herring, Jacob
Zeller, Matthias
Zaleski, Curtis M.
author_sort Herring, Jacob
collection PubMed
description The title compound, (C(8)H(20)N)(2)[Cu(5)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(2)], abbreviated as (TEA)(2)[Cu(II)(12-MC(Cu(II)) (N(shi))-4](DMF)(2) [where TEA is tetra­ethyl­ammonium, shi(3−) is salicyl­hydroximate (or N,2-dioxidobenzene-1-carboximidate) and DMF is N,N-dimethyl­formamide], contains five Cu(II) ions. Four of the Cu(II) ions are members of a metallacrown ring (MC), while the fifth Cu(II) is bound in a central cavity. Two of the ring Cu(II) ions are five-coordinate with distorted square-pyramidal geometry. The coordination sphere is composed of two shi(3−) ligands and one DMF mol­ecule. The other two ring Cu(II) ions and the central Cu(II) ion are four-coordinate with square-planar geometry. The coordination spheres of these ions are only composed of shi(3−) ligands. The charge of the [Cu(II)(12-MC(Cu(II)) (N(shi))-4](2−) unit is balanced by two uncoordinated TEA(+) countercations. The structure shows severe static disorder with the metallacrown, the tetra­ethyl­ammonium cations and the DMF solvent mol­ecule all disordered over each of two mutually exclusive sites, with occupancy rates for the major moieties of 0.6215 (6) for the metallacrown, 0.759 (3) for the tetra­ethyl­ammonium ion and 0.537 (6) for the DMF mol­ecules. The metallacrown unit is located on a crystallographic inversion center and disordered about a non-crystallographic twofold axis. The DMF mol­ecule and the tetra­ethyl­ammonium ion are disordered about a non-crystallographic twofold axis and pseudo-inversion center, respectively.
format Text
id pubmed-3099866
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-30998662011-07-13 Bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­copper(II) Herring, Jacob Zeller, Matthias Zaleski, Curtis M. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, (C(8)H(20)N)(2)[Cu(5)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(2)], abbreviated as (TEA)(2)[Cu(II)(12-MC(Cu(II)) (N(shi))-4](DMF)(2) [where TEA is tetra­ethyl­ammonium, shi(3−) is salicyl­hydroximate (or N,2-dioxidobenzene-1-carboximidate) and DMF is N,N-dimethyl­formamide], contains five Cu(II) ions. Four of the Cu(II) ions are members of a metallacrown ring (MC), while the fifth Cu(II) is bound in a central cavity. Two of the ring Cu(II) ions are five-coordinate with distorted square-pyramidal geometry. The coordination sphere is composed of two shi(3−) ligands and one DMF mol­ecule. The other two ring Cu(II) ions and the central Cu(II) ion are four-coordinate with square-planar geometry. The coordination spheres of these ions are only composed of shi(3−) ligands. The charge of the [Cu(II)(12-MC(Cu(II)) (N(shi))-4](2−) unit is balanced by two uncoordinated TEA(+) countercations. The structure shows severe static disorder with the metallacrown, the tetra­ethyl­ammonium cations and the DMF solvent mol­ecule all disordered over each of two mutually exclusive sites, with occupancy rates for the major moieties of 0.6215 (6) for the metallacrown, 0.759 (3) for the tetra­ethyl­ammonium ion and 0.537 (6) for the DMF mol­ecules. The metallacrown unit is located on a crystallographic inversion center and disordered about a non-crystallographic twofold axis. The DMF mol­ecule and the tetra­ethyl­ammonium ion are disordered about a non-crystallographic twofold axis and pseudo-inversion center, respectively. International Union of Crystallography 2011-03-12 /pmc/articles/PMC3099866/ /pubmed/21753949 http://dx.doi.org/10.1107/S1600536811007975 Text en © Herring et al. 2011 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 Metal-Organic Papers
Herring, Jacob
Zeller, Matthias
Zaleski, Curtis M.
Bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­copper(II)
title Bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­copper(II)
title_full Bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­copper(II)
title_fullStr Bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­copper(II)
title_full_unstemmed Bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­copper(II)
title_short Bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-N,2-dioxido­benzene-1-carboximidato)penta­copper(II)
title_sort bis(tetra­ethyl­ammonium) bis­(dimethyl­formamide)­tetra­kis­(μ-n,2-dioxido­benzene-1-carboximidato)penta­copper(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099866/
https://www.ncbi.nlm.nih.gov/pubmed/21753949
http://dx.doi.org/10.1107/S1600536811007975
work_keys_str_mv AT herringjacob bistetraethylammoniumbisdimethylformamidetetrakismn2dioxidobenzene1carboximidatopentacopperii
AT zellermatthias bistetraethylammoniumbisdimethylformamidetetrakismn2dioxidobenzene1carboximidatopentacopperii
AT zaleskicurtism bistetraethylammoniumbisdimethylformamidetetrakismn2dioxidobenzene1carboximidatopentacopperii