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Crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(III)] 1,1,2-tri­chloro­ethane hemisolvate

The asymmetric unit of the title salt, (C(10)H(8)S(8))[Re(2)Br(6)(CH(3)COO)]·0.5C(2)H(3)Cl(3), contains one bis­(ethyl­enedi­thio)­tetra­thia­fulvalene (ET) radical cation, one μ(2)-acetato-bis­[tri­bromido­rhenate(III)] anion and a 1,1,2-tri­chloro­ethane mol­ecule with half-occupancy disordered ab...

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Autores principales: Golichenko, Alexander A., Kravchenko, Andrey V., Omelchenko, Irina V., Chudak, Denis M., Starodub, Vladimir A., Barszcz, Boleslaw, Shtemenko, Alexander V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908526/
https://www.ncbi.nlm.nih.gov/pubmed/27308025
http://dx.doi.org/10.1107/S2056989016006058
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author Golichenko, Alexander A.
Kravchenko, Andrey V.
Omelchenko, Irina V.
Chudak, Denis M.
Starodub, Vladimir A.
Barszcz, Boleslaw
Shtemenko, Alexander V.
author_facet Golichenko, Alexander A.
Kravchenko, Andrey V.
Omelchenko, Irina V.
Chudak, Denis M.
Starodub, Vladimir A.
Barszcz, Boleslaw
Shtemenko, Alexander V.
author_sort Golichenko, Alexander A.
collection PubMed
description The asymmetric unit of the title salt, (C(10)H(8)S(8))[Re(2)Br(6)(CH(3)COO)]·0.5C(2)H(3)Cl(3), contains one bis­(ethyl­enedi­thio)­tetra­thia­fulvalene (ET) radical cation, one μ(2)-acetato-bis­[tri­bromido­rhenate(III)] anion and a 1,1,2-tri­chloro­ethane mol­ecule with half-occupancy disordered about a twofold rotation axis. The tetra­thia­fulvalene fragment adopts an almost planar configuration typical of the ET radical cation. The C atoms of both ethyl­enedi­thio fragments in the cation are disordered over two orientations with occupancy factors 0.65:0.35 and 0.77:0.23. In the anion, six Br atoms and a μ(2)-acetate ligand form a strongly distorted cubic O(2)Br(6) coordination polyhedron around the Re(2) dinuclear centre. In the crystal, centrosymmetrically related ET cations and Re(2)O(2)Br(6) anions are linked into dimers by π–π stacking inter­actions [centroid-to-centroid distance = 3.826 (8) Å] and by pairs of additional Re⋯Br contacts [3.131 (3) Å], respectively. The dimers are further packed into a three-dimensional network by non-directional inter­ionic electrostatic forces and by C—H⋯Br and C—H⋯S hydrogen bonds. The disordered 1,1,2-tri­chloro­ethane mol­ecules occupy solvent-accessible channels along the b axis.
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spelling pubmed-49085262016-06-15 Crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(III)] 1,1,2-tri­chloro­ethane hemisolvate Golichenko, Alexander A. Kravchenko, Andrey V. Omelchenko, Irina V. Chudak, Denis M. Starodub, Vladimir A. Barszcz, Boleslaw Shtemenko, Alexander V. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title salt, (C(10)H(8)S(8))[Re(2)Br(6)(CH(3)COO)]·0.5C(2)H(3)Cl(3), contains one bis­(ethyl­enedi­thio)­tetra­thia­fulvalene (ET) radical cation, one μ(2)-acetato-bis­[tri­bromido­rhenate(III)] anion and a 1,1,2-tri­chloro­ethane mol­ecule with half-occupancy disordered about a twofold rotation axis. The tetra­thia­fulvalene fragment adopts an almost planar configuration typical of the ET radical cation. The C atoms of both ethyl­enedi­thio fragments in the cation are disordered over two orientations with occupancy factors 0.65:0.35 and 0.77:0.23. In the anion, six Br atoms and a μ(2)-acetate ligand form a strongly distorted cubic O(2)Br(6) coordination polyhedron around the Re(2) dinuclear centre. In the crystal, centrosymmetrically related ET cations and Re(2)O(2)Br(6) anions are linked into dimers by π–π stacking inter­actions [centroid-to-centroid distance = 3.826 (8) Å] and by pairs of additional Re⋯Br contacts [3.131 (3) Å], respectively. The dimers are further packed into a three-dimensional network by non-directional inter­ionic electrostatic forces and by C—H⋯Br and C—H⋯S hydrogen bonds. The disordered 1,1,2-tri­chloro­ethane mol­ecules occupy solvent-accessible channels along the b axis. International Union of Crystallography 2016-04-19 /pmc/articles/PMC4908526/ /pubmed/27308025 http://dx.doi.org/10.1107/S2056989016006058 Text en © Golichenko et al. 2016 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 Research Communications
Golichenko, Alexander A.
Kravchenko, Andrey V.
Omelchenko, Irina V.
Chudak, Denis M.
Starodub, Vladimir A.
Barszcz, Boleslaw
Shtemenko, Alexander V.
Crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(III)] 1,1,2-tri­chloro­ethane hemisolvate
title Crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(III)] 1,1,2-tri­chloro­ethane hemisolvate
title_full Crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(III)] 1,1,2-tri­chloro­ethane hemisolvate
title_fullStr Crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(III)] 1,1,2-tri­chloro­ethane hemisolvate
title_full_unstemmed Crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(III)] 1,1,2-tri­chloro­ethane hemisolvate
title_short Crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(III)] 1,1,2-tri­chloro­ethane hemisolvate
title_sort crystal structure of bis­(ethyl­enedi­thio)­tetra­thia­fulvalenium μ(2)-acetato-bis­[tri­bromido­rhenate(iii)] 1,1,2-tri­chloro­ethane hemisolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908526/
https://www.ncbi.nlm.nih.gov/pubmed/27308025
http://dx.doi.org/10.1107/S2056989016006058
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