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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-{...

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Autores principales: Wang, Weilun, Ran, Jingwen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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AT ranjingwen crystalstructureoftetrakism3211bishydroxymethyl2oxidoethyliminomethylphenolatotetracopperiiethanolmonosolvate25hydrate