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Crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate
The title compound, [Cu(4)(C(11)H(13)NO(4))(4)]·CH(3)CH(2)OH·2.5H(2)O, is an electronically neutral tetranuclear copper(II) complex with a cubane-like Cu(4)O(4) core. The complete molecule has point group symmetry 2. The phenol hydroxy group and one of the three alcohol hydroxy groups of each 2-{...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420116/ https://www.ncbi.nlm.nih.gov/pubmed/25995892 http://dx.doi.org/10.1107/S2056989015007513 |
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author | Wang, Weilun Ran, Jingwen |
author_facet | Wang, Weilun Ran, Jingwen |
author_sort | Wang, Weilun |
collection | PubMed |
description | The title compound, [Cu(4)(C(11)H(13)NO(4))(4)]·CH(3)CH(2)OH·2.5H(2)O, is an electronically neutral tetranuclear copper(II) complex with a cubane-like Cu(4)O(4) core. The complete molecule has point group symmetry 2. The phenol hydroxy group and one of the three alcohol hydroxy groups of each 2-{[tris(hydroxymethyl)methyl]iminomethyl}phenol ligand are deprotonated, while the secondary amine and the other two hydroxy groups remain unchanged. The Cu(II) atoms in the Cu(4)O(4) core are connected by four μ(3)-O atoms from the deprotonated alcohol hydroxy groups. Each of the pentacoordinated Cu(II) ions has an NO(4) distorted square-pyramidal environment through coordination to the tridentate Schiff base ligands. The Cu—N/O bond lengths span the range 1.902 (4)–1.955 (4) Å, similar to values reported for related structures. There are O—H⋯O hydrogen-bond interactions between the complex molecules and the ethanol and water solvent molecules, leading to the formation of a three-dimensional network. The ethanol solvent molecule is disordered about a twofold rotation axis. One of the two independent water molecules is also located on this twofold rotation axis and shows half-occupancy. |
format | Online Article Text |
id | pubmed-4420116 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44201162015-05-20 Crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate Wang, Weilun Ran, Jingwen Acta Crystallogr E Crystallogr Commun Data Reports The title compound, [Cu(4)(C(11)H(13)NO(4))(4)]·CH(3)CH(2)OH·2.5H(2)O, is an electronically neutral tetranuclear copper(II) complex with a cubane-like Cu(4)O(4) core. The complete molecule has point group symmetry 2. The phenol hydroxy group and one of the three alcohol hydroxy groups of each 2-{[tris(hydroxymethyl)methyl]iminomethyl}phenol ligand are deprotonated, while the secondary amine and the other two hydroxy groups remain unchanged. The Cu(II) atoms in the Cu(4)O(4) core are connected by four μ(3)-O atoms from the deprotonated alcohol hydroxy groups. Each of the pentacoordinated Cu(II) ions has an NO(4) distorted square-pyramidal environment through coordination to the tridentate Schiff base ligands. The Cu—N/O bond lengths span the range 1.902 (4)–1.955 (4) Å, similar to values reported for related structures. There are O—H⋯O hydrogen-bond interactions between the complex molecules and the ethanol and water solvent molecules, leading to the formation of a three-dimensional network. The ethanol solvent molecule is disordered about a twofold rotation axis. One of the two independent water molecules is also located on this twofold rotation axis and shows half-occupancy. International Union of Crystallography 2015-04-22 /pmc/articles/PMC4420116/ /pubmed/25995892 http://dx.doi.org/10.1107/S2056989015007513 Text en © Wang and Ran 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 Wang, Weilun Ran, Jingwen Crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
title | Crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
title_full | Crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
title_fullStr | Crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
title_full_unstemmed | Crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
title_short | Crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(II) ethanol monosolvate 2.5-hydrate |
title_sort | crystal structure of tetrakis(μ(3)-2-{[1,1-bis(hydroxymethyl)-2-oxidoethyl]iminomethyl}phenolato)tetracopper(ii) ethanol monosolvate 2.5-hydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420116/ https://www.ncbi.nlm.nih.gov/pubmed/25995892 http://dx.doi.org/10.1107/S2056989015007513 |
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