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A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation
The compound (μ-3,3′,3′′,3′′′-{[2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0(9,14)]hexacosa-1(22),9,11,13,23,25-hexaene-11,12,24,25-tetrayl]tetrakis(methylene)}tetrakis(1-methyl-1H-imidazol-2-yl))bis[(η(4)-cycloocta-1,4-diene)rhodium(I)] bis(hexafluoridophosphate) acetonitrile sesquisolvate...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588264/ https://www.ncbi.nlm.nih.gov/pubmed/23476343 http://dx.doi.org/10.1107/S160053681204901X |
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author | Shrestha, Sumi Bhadbhade, Mohan Gimbert-Suriñach, Carolina Colbran, Stephen B. |
author_facet | Shrestha, Sumi Bhadbhade, Mohan Gimbert-Suriñach, Carolina Colbran, Stephen B. |
author_sort | Shrestha, Sumi |
collection | PubMed |
description | The compound (μ-3,3′,3′′,3′′′-{[2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0(9,14)]hexacosa-1(22),9,11,13,23,25-hexaene-11,12,24,25-tetrayl]tetrakis(methylene)}tetrakis(1-methyl-1H-imidazol-2-yl))bis[(η(4)-cycloocta-1,4-diene)rhodium(I)] bis(hexafluoridophosphate) acetonitrile sesquisolvate dihydrate, [Rh(2)(C(8)H(12))(2)(C(40)H(42)N(8)O(6))](PF(6))(2)·1.5CH(3)CN·2H(2)O, crystallized from acetonitrile under an atmosphere of diethyl ether. In the crystal structure, the complex cation exhibits two square-planar Rh(I) centres, each bound by a cyclooctadiene (COD) ligand and by two adjacent imidazolylidene N-heterocyclic carbene (NHC) donors from the same phenoxy ring of the {[dibenzo-18-crown-6-11,12,24,25-tetrayl]tetrakis(methylene)}tetrakis(1-methyl-1H-imidazol-2-yl) (L) ligand. The dibenzo-crown ether bridge of L spans the Rh centres and forms hydrogen bonds with water molecules. One water molecule with half occupancy bridges adjacent macrocycles in the lattice. Another water with full occupancy forms weak hydrogen bonds to the crown ether O atoms and is, in turn, part hydrogen bonded by a lattice water with half occupancy. The latter water is within hydrogen-bonding distance of a fourth water also with partial occupancy. The result of these interactions is the formation of a layer in the ab plane. Two PF(6) (−) ions, one of which is twofold disordered, and one ordered and one twofold disordered (with 0.5 occupancy) lattice acetonitrile molecules complete the crystal structure. |
format | Online Article Text |
id | pubmed-3588264 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35882642013-03-08 A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation Shrestha, Sumi Bhadbhade, Mohan Gimbert-Suriñach, Carolina Colbran, Stephen B. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The compound (μ-3,3′,3′′,3′′′-{[2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0(9,14)]hexacosa-1(22),9,11,13,23,25-hexaene-11,12,24,25-tetrayl]tetrakis(methylene)}tetrakis(1-methyl-1H-imidazol-2-yl))bis[(η(4)-cycloocta-1,4-diene)rhodium(I)] bis(hexafluoridophosphate) acetonitrile sesquisolvate dihydrate, [Rh(2)(C(8)H(12))(2)(C(40)H(42)N(8)O(6))](PF(6))(2)·1.5CH(3)CN·2H(2)O, crystallized from acetonitrile under an atmosphere of diethyl ether. In the crystal structure, the complex cation exhibits two square-planar Rh(I) centres, each bound by a cyclooctadiene (COD) ligand and by two adjacent imidazolylidene N-heterocyclic carbene (NHC) donors from the same phenoxy ring of the {[dibenzo-18-crown-6-11,12,24,25-tetrayl]tetrakis(methylene)}tetrakis(1-methyl-1H-imidazol-2-yl) (L) ligand. The dibenzo-crown ether bridge of L spans the Rh centres and forms hydrogen bonds with water molecules. One water molecule with half occupancy bridges adjacent macrocycles in the lattice. Another water with full occupancy forms weak hydrogen bonds to the crown ether O atoms and is, in turn, part hydrogen bonded by a lattice water with half occupancy. The latter water is within hydrogen-bonding distance of a fourth water also with partial occupancy. The result of these interactions is the formation of a layer in the ab plane. Two PF(6) (−) ions, one of which is twofold disordered, and one ordered and one twofold disordered (with 0.5 occupancy) lattice acetonitrile molecules complete the crystal structure. International Union of Crystallography 2012-12-12 /pmc/articles/PMC3588264/ /pubmed/23476343 http://dx.doi.org/10.1107/S160053681204901X Text en © Shrestha 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 Shrestha, Sumi Bhadbhade, Mohan Gimbert-Suriñach, Carolina Colbran, Stephen B. A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation |
title | A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation |
title_full | A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation |
title_fullStr | A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation |
title_full_unstemmed | A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation |
title_short | A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation |
title_sort | dimer of bis(n-heterocyclic carbene)rhodium(i) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588264/ https://www.ncbi.nlm.nih.gov/pubmed/23476343 http://dx.doi.org/10.1107/S160053681204901X |
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