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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4908526 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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