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Tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II)
The title cluster, [Cu(4)(C(11)H(12)N(2)O(6))(4)], was obtained from the Cu(0)–FeCl(2)·4H(2)O–H(4) L–Et(3)N–DMF reaction system (in air), where H(4) L is 2-hydroxymethyl-2{[(2-hydroxy-3-nitrophenyl)methylidene]amino}propane-1,3-diol and DMF is dimethylformamide. The asymmetric unit consists...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998260/ https://www.ncbi.nlm.nih.gov/pubmed/24764821 http://dx.doi.org/10.1107/S1600536814000798 |
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author | Chygorin, Eduard N. Smal, Yuri O. Kokozay, Vladimir N. Omelchenko, Irina V. |
author_facet | Chygorin, Eduard N. Smal, Yuri O. Kokozay, Vladimir N. Omelchenko, Irina V. |
author_sort | Chygorin, Eduard N. |
collection | PubMed |
description | The title cluster, [Cu(4)(C(11)H(12)N(2)O(6))(4)], was obtained from the Cu(0)–FeCl(2)·4H(2)O–H(4) L–Et(3)N–DMF reaction system (in air), where H(4) L is 2-hydroxymethyl-2{[(2-hydroxy-3-nitrophenyl)methylidene]amino}propane-1,3-diol and DMF is dimethylformamide. The asymmetric unit consists of one Cu(2+) ion and one dianionic ligand; a -4 symmetry element generates the cluster, which contains a {Cu(4)O(4)} cubane-like core. The metal ion has an elongated square-based pyramidal CuNO(4) coordination geometry with the N atom in a basal site. An intramolecular O—H⋯O hydrogen bond is observed. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155], which indicated a solvent cavity of volume 3131 Å(3) containing approximately 749 electrons. These solvent molecules are not considered in the given chemical formula. |
format | Online Article Text |
id | pubmed-3998260 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39982602014-04-24 Tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) Chygorin, Eduard N. Smal, Yuri O. Kokozay, Vladimir N. Omelchenko, Irina V. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title cluster, [Cu(4)(C(11)H(12)N(2)O(6))(4)], was obtained from the Cu(0)–FeCl(2)·4H(2)O–H(4) L–Et(3)N–DMF reaction system (in air), where H(4) L is 2-hydroxymethyl-2{[(2-hydroxy-3-nitrophenyl)methylidene]amino}propane-1,3-diol and DMF is dimethylformamide. The asymmetric unit consists of one Cu(2+) ion and one dianionic ligand; a -4 symmetry element generates the cluster, which contains a {Cu(4)O(4)} cubane-like core. The metal ion has an elongated square-based pyramidal CuNO(4) coordination geometry with the N atom in a basal site. An intramolecular O—H⋯O hydrogen bond is observed. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155], which indicated a solvent cavity of volume 3131 Å(3) containing approximately 749 electrons. These solvent molecules are not considered in the given chemical formula. International Union of Crystallography 2014-01-18 /pmc/articles/PMC3998260/ /pubmed/24764821 http://dx.doi.org/10.1107/S1600536814000798 Text en © Chygorin et al. 2014 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 Chygorin, Eduard N. Smal, Yuri O. Kokozay, Vladimir N. Omelchenko, Irina V. Tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title | Tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_full | Tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_fullStr | Tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_full_unstemmed | Tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_short | Tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(II) |
title_sort | tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}-6-nitrophenolato)tetracopper(ii) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998260/ https://www.ncbi.nlm.nih.gov/pubmed/24764821 http://dx.doi.org/10.1107/S1600536814000798 |
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