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μ(3)-Methoxido-κ(3) O:O:O-tris­(μ-l-p-tyrosinato-κ(3) N,O:O)tris­(l-p-tyrosinato-κ(2) N,O)trinickel(II,III) methanol tetra­solvate

A trinuclear nickel complex, [Ni(3)(C(9)H(10)NO(3))(6)(CH(3)O)]·4CH(4)O, was synthesized and characterized as a neutral cluster containing the incomplete cubane {Ni(3)(μ(1)-O)(μ(2)-O)(2)(μ(3)-O)} core of 2M3–1 topology. The three nickel cations show similar octa­hedral coordination, {Ni(μ(1)-O)(μ(2)...

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Detalles Bibliográficos
Autores principales: Tapala, Weerinradah, Prior, Timothy J., Rujiwatra, Apinpus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647820/
https://www.ncbi.nlm.nih.gov/pubmed/23723786
http://dx.doi.org/10.1107/S1600536813010696
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author Tapala, Weerinradah
Prior, Timothy J.
Rujiwatra, Apinpus
author_facet Tapala, Weerinradah
Prior, Timothy J.
Rujiwatra, Apinpus
author_sort Tapala, Weerinradah
collection PubMed
description A trinuclear nickel complex, [Ni(3)(C(9)H(10)NO(3))(6)(CH(3)O)]·4CH(4)O, was synthesized and characterized as a neutral cluster containing the incomplete cubane {Ni(3)(μ(1)-O)(μ(2)-O)(2)(μ(3)-O)} core of 2M3–1 topology. The three nickel cations show similar octa­hedral coordination, {Ni(μ(1)-O)(μ(2)-O)(2)(μ(3)-O)(μ(1)-N)(2)}; the positive charge is balanced by six tyrosinate ligands and one methoxide ion. The mean oxidation state of each Ni(II) ion is therefore +2.33. The common coordination modes, chelating (via the amino N and the carboxyl­ate O atoms) and bridging (via the carboxyl­ate O atom), are exhibited by the tyrosinates. Three inter­ligand (intra­cluster) N—H⋯O hydrogen-bonding inter­actions stabilize the incomplete cubane-type moiety. Additional N—H⋯O, O—H⋯O and C—H⋯O inter­actions are formed between clusters, and between the clusters and methanol mol­ecules to regulate the spatial orientation of the tyrosinate and the assembly of the clusters in the crystal. The approximate equilateral triangular arrangement of the three nickel cations in the incomplete cubane-type moiety suggests the possible magnetic frustration, and the proximity of these metal cations indicates weak metallic bonds. The structure contains approximately 39% solvent-accessible volume between the clusters. This is filled with 17 mol­ecules of disordered methanol and was modelled with SQUEEZE [Spek (2009 ▶). Acta Cryst. D65, 148–155]; the reported unit-cell characteristics do not take these mol­ecules into account. The H atoms of the solvent mol­ecules have not been included in the crystal data.
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spelling pubmed-36478202013-05-30 μ(3)-Methoxido-κ(3) O:O:O-tris­(μ-l-p-tyrosinato-κ(3) N,O:O)tris­(l-p-tyrosinato-κ(2) N,O)trinickel(II,III) methanol tetra­solvate Tapala, Weerinradah Prior, Timothy J. Rujiwatra, Apinpus Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers A trinuclear nickel complex, [Ni(3)(C(9)H(10)NO(3))(6)(CH(3)O)]·4CH(4)O, was synthesized and characterized as a neutral cluster containing the incomplete cubane {Ni(3)(μ(1)-O)(μ(2)-O)(2)(μ(3)-O)} core of 2M3–1 topology. The three nickel cations show similar octa­hedral coordination, {Ni(μ(1)-O)(μ(2)-O)(2)(μ(3)-O)(μ(1)-N)(2)}; the positive charge is balanced by six tyrosinate ligands and one methoxide ion. The mean oxidation state of each Ni(II) ion is therefore +2.33. The common coordination modes, chelating (via the amino N and the carboxyl­ate O atoms) and bridging (via the carboxyl­ate O atom), are exhibited by the tyrosinates. Three inter­ligand (intra­cluster) N—H⋯O hydrogen-bonding inter­actions stabilize the incomplete cubane-type moiety. Additional N—H⋯O, O—H⋯O and C—H⋯O inter­actions are formed between clusters, and between the clusters and methanol mol­ecules to regulate the spatial orientation of the tyrosinate and the assembly of the clusters in the crystal. The approximate equilateral triangular arrangement of the three nickel cations in the incomplete cubane-type moiety suggests the possible magnetic frustration, and the proximity of these metal cations indicates weak metallic bonds. The structure contains approximately 39% solvent-accessible volume between the clusters. This is filled with 17 mol­ecules of disordered methanol and was modelled with SQUEEZE [Spek (2009 ▶). Acta Cryst. D65, 148–155]; the reported unit-cell characteristics do not take these mol­ecules into account. The H atoms of the solvent mol­ecules have not been included in the crystal data. International Union of Crystallography 2013-04-24 /pmc/articles/PMC3647820/ /pubmed/23723786 http://dx.doi.org/10.1107/S1600536813010696 Text en © Tapala et al. 2013 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
Tapala, Weerinradah
Prior, Timothy J.
Rujiwatra, Apinpus
μ(3)-Methoxido-κ(3) O:O:O-tris­(μ-l-p-tyrosinato-κ(3) N,O:O)tris­(l-p-tyrosinato-κ(2) N,O)trinickel(II,III) methanol tetra­solvate
title μ(3)-Methoxido-κ(3) O:O:O-tris­(μ-l-p-tyrosinato-κ(3) N,O:O)tris­(l-p-tyrosinato-κ(2) N,O)trinickel(II,III) methanol tetra­solvate
title_full μ(3)-Methoxido-κ(3) O:O:O-tris­(μ-l-p-tyrosinato-κ(3) N,O:O)tris­(l-p-tyrosinato-κ(2) N,O)trinickel(II,III) methanol tetra­solvate
title_fullStr μ(3)-Methoxido-κ(3) O:O:O-tris­(μ-l-p-tyrosinato-κ(3) N,O:O)tris­(l-p-tyrosinato-κ(2) N,O)trinickel(II,III) methanol tetra­solvate
title_full_unstemmed μ(3)-Methoxido-κ(3) O:O:O-tris­(μ-l-p-tyrosinato-κ(3) N,O:O)tris­(l-p-tyrosinato-κ(2) N,O)trinickel(II,III) methanol tetra­solvate
title_short μ(3)-Methoxido-κ(3) O:O:O-tris­(μ-l-p-tyrosinato-κ(3) N,O:O)tris­(l-p-tyrosinato-κ(2) N,O)trinickel(II,III) methanol tetra­solvate
title_sort μ(3)-methoxido-κ(3) o:o:o-tris­(μ-l-p-tyrosinato-κ(3) n,o:o)tris­(l-p-tyrosinato-κ(2) n,o)trinickel(ii,iii) methanol tetra­solvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647820/
https://www.ncbi.nlm.nih.gov/pubmed/23723786
http://dx.doi.org/10.1107/S1600536813010696
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