Cargando…
Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(II,III) ethanol octasolvate
Our work in the area of synthesis of polynuclear manganese complexes and their magnetic properties led to the synthesis and crystallization of the title compound, [Mn(7)(C(8)H(9)NO(3))(4)(C(8)H(10)NO(3))(4)(C(2)H(5)O)(2)(C(7)H(5)O(2))(2)O(2)]·8C(2)H(5)OH. Herein, we report the molecular and crystal...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462263/ https://www.ncbi.nlm.nih.gov/pubmed/36340470 http://dx.doi.org/10.1107/S2414314620016430 |
_version_ | 1784787145279406080 |
---|---|
author | Saha, Arpita Padgett, Clifford W. LeMagueres, Pierre Moncur, Kiana Onajobi, Glory |
author_facet | Saha, Arpita Padgett, Clifford W. LeMagueres, Pierre Moncur, Kiana Onajobi, Glory |
author_sort | Saha, Arpita |
collection | PubMed |
description | Our work in the area of synthesis of polynuclear manganese complexes and their magnetic properties led to the synthesis and crystallization of the title compound, [Mn(7)(C(8)H(9)NO(3))(4)(C(8)H(10)NO(3))(4)(C(2)H(5)O)(2)(C(7)H(5)O(2))(2)O(2)]·8C(2)H(5)OH. Herein, we report the molecular and crystal structure of the title compound, which was synthesized by the reaction of Mn(C(6)H(5)COO)(2) with pyridoxine (PNH(2), C(8)H(11)NO(3)) followed by the addition of tetramethylammonium hydroxide (TMAOH). The core of this centrosymmetric complex is a cage-like structure consisting of six Mn(III) ions and one Mn(II) ion bound together through Mn—O bonds. The compound crystallizes in hydrogen-bonded layers formed by O—H⋯N hydrogen bonds involving the aromatic amine group of the ligand PN(2−) with the neighboring O atoms from the PNH(−) ligand. The crystal structure has large voids present in which highly disordered solvent molecules (ethanol) sit. A solvent mask was calculated and 181 electrons were found in a volume of 843 Å(3) in one void per triclinic unit cell. This is consistent with the presence of seven ethanol molecules per formula unit, which accounts for 182 electrons per unit cell. Additionally, one ethanol molecule was found to be ordered in the crystal. [Image: see text] |
format | Online Article Text |
id | pubmed-9462263 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-94622632022-11-04 Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(II,III) ethanol octasolvate Saha, Arpita Padgett, Clifford W. LeMagueres, Pierre Moncur, Kiana Onajobi, Glory IUCrdata Data Reports Our work in the area of synthesis of polynuclear manganese complexes and their magnetic properties led to the synthesis and crystallization of the title compound, [Mn(7)(C(8)H(9)NO(3))(4)(C(8)H(10)NO(3))(4)(C(2)H(5)O)(2)(C(7)H(5)O(2))(2)O(2)]·8C(2)H(5)OH. Herein, we report the molecular and crystal structure of the title compound, which was synthesized by the reaction of Mn(C(6)H(5)COO)(2) with pyridoxine (PNH(2), C(8)H(11)NO(3)) followed by the addition of tetramethylammonium hydroxide (TMAOH). The core of this centrosymmetric complex is a cage-like structure consisting of six Mn(III) ions and one Mn(II) ion bound together through Mn—O bonds. The compound crystallizes in hydrogen-bonded layers formed by O—H⋯N hydrogen bonds involving the aromatic amine group of the ligand PN(2−) with the neighboring O atoms from the PNH(−) ligand. The crystal structure has large voids present in which highly disordered solvent molecules (ethanol) sit. A solvent mask was calculated and 181 electrons were found in a volume of 843 Å(3) in one void per triclinic unit cell. This is consistent with the presence of seven ethanol molecules per formula unit, which accounts for 182 electrons per unit cell. Additionally, one ethanol molecule was found to be ordered in the crystal. [Image: see text] International Union of Crystallography 2021-01-05 /pmc/articles/PMC9462263/ /pubmed/36340470 http://dx.doi.org/10.1107/S2414314620016430 Text en © Saha et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Saha, Arpita Padgett, Clifford W. LeMagueres, Pierre Moncur, Kiana Onajobi, Glory Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(II,III) ethanol octasolvate |
title | Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(II,III) ethanol octasolvate |
title_full | Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(II,III) ethanol octasolvate |
title_fullStr | Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(II,III) ethanol octasolvate |
title_full_unstemmed | Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(II,III) ethanol octasolvate |
title_short | Di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(II,III) ethanol octasolvate |
title_sort | di-μ-benzoato-di-μ-ethanolato-tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-1-ium-3-olato]tetrakis[μ(3)-5-(hydroxymethyl)-2-methyl-4-(oxidomethyl)pyridin-3-olato]di-μ(3)-oxido-heptamanganese(ii,iii) ethanol octasolvate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462263/ https://www.ncbi.nlm.nih.gov/pubmed/36340470 http://dx.doi.org/10.1107/S2414314620016430 |
work_keys_str_mv | AT sahaarpita dimbenzoatodimethanolatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin1ium3olatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin3olatodim3oxidoheptamanganeseiiiiiethanoloctasolvate AT padgettcliffordw dimbenzoatodimethanolatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin1ium3olatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin3olatodim3oxidoheptamanganeseiiiiiethanoloctasolvate AT lemaguerespierre dimbenzoatodimethanolatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin1ium3olatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin3olatodim3oxidoheptamanganeseiiiiiethanoloctasolvate AT moncurkiana dimbenzoatodimethanolatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin1ium3olatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin3olatodim3oxidoheptamanganeseiiiiiethanoloctasolvate AT onajobiglory dimbenzoatodimethanolatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin1ium3olatotetrakism35hydroxymethyl2methyl4oxidomethylpyridin3olatodim3oxidoheptamanganeseiiiiiethanoloctasolvate |