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

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

A trinuclear nickel complex, [Ni3(C9H 10NO3)6(CH3O)]·4CH4O, was synthesized and characterized as a neutral cluster containing the incomplete cubane {Ni 3(μ1-O)(μ2-O)2(μ3-O)} core of 2M3-1 topology. The three nickel cations show similar octahedral coordination, {Ni(μ1-O)(μ2- O)2(μ3-O)(μ1-N)2}; the po...

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Main Authors: Weerinradah Tapala, Timothy J. Prior, Apinpus Rujiwatra
Format: Journal
Published: 2018
Subjects:
Chemistry
Materials Science
Physics and Astronomy
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http://cmuir.cmu.ac.th/jspui/handle/6653943832/52394
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Institution: Chiang Mai University
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spelling th-cmuir.6653943832-523942018-09-04T09:36:52Z μ<inf>3</inf>-Methoxido-κ<sup>3</sup> O:O:O-tris(μ-l-p- tyrosinato-κ<sup>3</sup> N,O:O)tris(l-p-tyrosinato-κ<sup>2</sup> N,O)trinickel(II,III) methanol tetrasolvate Weerinradah Tapala Timothy J. Prior Apinpus Rujiwatra Chemistry Materials Science Physics and Astronomy A trinuclear nickel complex, [Ni3(C9H 10NO3)6(CH3O)]·4CH4O, was synthesized and characterized as a neutral cluster containing the incomplete cubane {Ni 3(μ1-O)(μ2-O)2(μ3-O)} core of 2M3-1 topology. The three nickel cations show similar octahedral coordination, {Ni(μ1-O)(μ2- O)2(μ3-O)(μ1-N)2}; the positive charge is balanced by six tyrosinate ligands and one methoxide ion. The mean oxidation state of each NiII 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. 2018-09-04T09:24:36Z 2018-09-04T09:24:36Z 2013-05-01 Journal 16005368 2-s2.0-84877297345 10.1107/S1600536813010696 https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84877297345&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/52394
institution Chiang Mai University
building Chiang Mai University Library
country Thailand
collection CMU Intellectual Repository
topic Chemistry
Materials Science
Physics and Astronomy
spellingShingle Chemistry
Materials Science
Physics and Astronomy
Weerinradah Tapala
Timothy J. Prior
Apinpus Rujiwatra
μ<inf>3</inf>-Methoxido-κ<sup>3</sup> O:O:O-tris(μ-l-p- tyrosinato-κ<sup>3</sup> N,O:O)tris(l-p-tyrosinato-κ<sup>2</sup> N,O)trinickel(II,III) methanol tetrasolvate
description A trinuclear nickel complex, [Ni3(C9H 10NO3)6(CH3O)]·4CH4O, was synthesized and characterized as a neutral cluster containing the incomplete cubane {Ni 3(μ1-O)(μ2-O)2(μ3-O)} core of 2M3-1 topology. The three nickel cations show similar octahedral coordination, {Ni(μ1-O)(μ2- O)2(μ3-O)(μ1-N)2}; the positive charge is balanced by six tyrosinate ligands and one methoxide ion. The mean oxidation state of each NiII 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.
format Journal
author Weerinradah Tapala
Timothy J. Prior
Apinpus Rujiwatra
author_facet Weerinradah Tapala
Timothy J. Prior
Apinpus Rujiwatra
author_sort Weerinradah Tapala
title μ<inf>3</inf>-Methoxido-κ<sup>3</sup> O:O:O-tris(μ-l-p- tyrosinato-κ<sup>3</sup> N,O:O)tris(l-p-tyrosinato-κ<sup>2</sup> N,O)trinickel(II,III) methanol tetrasolvate
title_short μ<inf>3</inf>-Methoxido-κ<sup>3</sup> O:O:O-tris(μ-l-p- tyrosinato-κ<sup>3</sup> N,O:O)tris(l-p-tyrosinato-κ<sup>2</sup> N,O)trinickel(II,III) methanol tetrasolvate
title_full μ<inf>3</inf>-Methoxido-κ<sup>3</sup> O:O:O-tris(μ-l-p- tyrosinato-κ<sup>3</sup> N,O:O)tris(l-p-tyrosinato-κ<sup>2</sup> N,O)trinickel(II,III) methanol tetrasolvate
title_fullStr μ<inf>3</inf>-Methoxido-κ<sup>3</sup> O:O:O-tris(μ-l-p- tyrosinato-κ<sup>3</sup> N,O:O)tris(l-p-tyrosinato-κ<sup>2</sup> N,O)trinickel(II,III) methanol tetrasolvate
title_full_unstemmed μ<inf>3</inf>-Methoxido-κ<sup>3</sup> O:O:O-tris(μ-l-p- tyrosinato-κ<sup>3</sup> N,O:O)tris(l-p-tyrosinato-κ<sup>2</sup> N,O)trinickel(II,III) methanol tetrasolvate
title_sort μ<inf>3</inf>-methoxido-κ<sup>3</sup> o:o:o-tris(μ-l-p- tyrosinato-κ<sup>3</sup> n,o:o)tris(l-p-tyrosinato-κ<sup>2</sup> n,o)trinickel(ii,iii) methanol tetrasolvate
publishDate 2018
url https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84877297345&origin=inward
http://cmuir.cmu.ac.th/jspui/handle/6653943832/52394
_version_ 1681423943133560832

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