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Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I)
The reaction of bis(anthracene)cobaltate(−I) with excess cycloheptatriene, C(7)H(8), resulted in a new 18-electron cobaltate containing two different seven-membered ring ligands, based on single-crystal X-ray diffraction. The asymmetric unit of this structure contains two independent cation–anion...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350718/ https://www.ncbi.nlm.nih.gov/pubmed/25844191 http://dx.doi.org/10.1107/S2056989015003151 |
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author | Brennessel, William W. Ellis, John E. |
author_facet | Brennessel, William W. Ellis, John E. |
author_sort | Brennessel, William W. |
collection | PubMed |
description | The reaction of bis(anthracene)cobaltate(−I) with excess cycloheptatriene, C(7)H(8), resulted in a new 18-electron cobaltate containing two different seven-membered ring ligands, based on single-crystal X-ray diffraction. The asymmetric unit of this structure contains two independent cation–anion pairs of the title complex, [K(18-crown-6)][Co(η(3)-C(7)H(7))(η(5)-C(7)H(9))], where 18-crown-6 stands for 1,4,7,10,13,16-hexaoxacyclooctadecane (C(12)H(24)O(6)), in general positions and well separated. Each (18-crown-6)potassium cation is in contact with the η(3)-coordinating ligand of one cobaltate complex. Each η(3)-coordinating ligand behaves as an allylic anion whose exo-diene moiety is bent away from the allylic plane, and thus is not involved directly in the bonding. The metal-coordinating portions of the anionic η(5) ligands are planar and one of these ligands is modeled as disordered over two positions, with occupancy ratio 0.699 (5):0.301 (5), such that one orientation is rotated by one carbon atom with respect to the other. The diffraction intensities were integrated according to non-merohedral twin law [-1 0 0/0 -1 0/0.064 0 1], a 180° rotation about reciprocal lattice axis [001], and the masses of the twin domains refined to equal amounts. As both ligands are formally coordinated as anions, the cobalt atom is best considered to be Co(I). This compound is of interest as the first to possess cycloheptatrienyl and cycloheptadienyl ligands in an anionic metal complex. |
format | Online Article Text |
id | pubmed-4350718 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507182015-04-03 Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I) Brennessel, William W. Ellis, John E. Acta Crystallogr E Crystallogr Commun Research Communications The reaction of bis(anthracene)cobaltate(−I) with excess cycloheptatriene, C(7)H(8), resulted in a new 18-electron cobaltate containing two different seven-membered ring ligands, based on single-crystal X-ray diffraction. The asymmetric unit of this structure contains two independent cation–anion pairs of the title complex, [K(18-crown-6)][Co(η(3)-C(7)H(7))(η(5)-C(7)H(9))], where 18-crown-6 stands for 1,4,7,10,13,16-hexaoxacyclooctadecane (C(12)H(24)O(6)), in general positions and well separated. Each (18-crown-6)potassium cation is in contact with the η(3)-coordinating ligand of one cobaltate complex. Each η(3)-coordinating ligand behaves as an allylic anion whose exo-diene moiety is bent away from the allylic plane, and thus is not involved directly in the bonding. The metal-coordinating portions of the anionic η(5) ligands are planar and one of these ligands is modeled as disordered over two positions, with occupancy ratio 0.699 (5):0.301 (5), such that one orientation is rotated by one carbon atom with respect to the other. The diffraction intensities were integrated according to non-merohedral twin law [-1 0 0/0 -1 0/0.064 0 1], a 180° rotation about reciprocal lattice axis [001], and the masses of the twin domains refined to equal amounts. As both ligands are formally coordinated as anions, the cobalt atom is best considered to be Co(I). This compound is of interest as the first to possess cycloheptatrienyl and cycloheptadienyl ligands in an anionic metal complex. International Union of Crystallography 2015-02-21 /pmc/articles/PMC4350718/ /pubmed/25844191 http://dx.doi.org/10.1107/S2056989015003151 Text en © Brennessel and Ellis 2015 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 Brennessel, William W. Ellis, John E. Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I) |
title | Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I) |
title_full | Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I) |
title_fullStr | Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I) |
title_full_unstemmed | Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I) |
title_short | Crystal structure of (18-crown-6)potassium(I) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(I) |
title_sort | crystal structure of (18-crown-6)potassium(i) [(1,2,3,4,5-η)-cycloheptadienyl][(1,2,3-η)-cycloheptatrienyl]cobalt(i) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350718/ https://www.ncbi.nlm.nih.gov/pubmed/25844191 http://dx.doi.org/10.1107/S2056989015003151 |
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