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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...

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Autores principales: Shrestha, Sumi, Bhadbhade, Mohan, Gimbert-Suriñach, Carolina, Colbran, Stephen B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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