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X-ray-determined structure of the technetium complex [Tc(2)(μ-CO)(2)(NC(5)H(5))(2)(CO)(6)] revisited: [Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)] as the correct formulation
Some of us reported previously the structure of di-μ-carbonyl-bis[tricarbonyl(pyridine)technetium], [Tc(2)(μ-CO)(2)(C(5)H(5)N)(2)(CO)(6)], as the main product of the reaction of [Tc(2)(CO)(10)] with pyridine at room temperature, using the reagent itself as solvent [Zuhayra et al. (2008). Inorg. C...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10551881/ https://www.ncbi.nlm.nih.gov/pubmed/37725081 http://dx.doi.org/10.1107/S2053229623007957 |
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author | Zuhayra, Maaz Lützen, Arne Ruiz, Miguel A. |
author_facet | Zuhayra, Maaz Lützen, Arne Ruiz, Miguel A. |
author_sort | Zuhayra, Maaz |
collection | PubMed |
description | Some of us reported previously the structure of di-μ-carbonyl-bis[tricarbonyl(pyridine)technetium], [Tc(2)(μ-CO)(2)(C(5)H(5)N)(2)(CO)(6)], as the main product of the reaction of [Tc(2)(CO)(10)] with pyridine at room temperature, using the reagent itself as solvent [Zuhayra et al. (2008). Inorg. Chem. 47, 10177–10182]. On the basis of an X-ray analysis of the product, a molecular structure was proposed with two bridging carbonyls displaying very unusual geometrical features, not explained at the time. Subsequent chemical considerations, coupled with density functional theory (DFT) calculations, prompted us to revise the original structure determination. Using the original raw diffraction data, we have now performed new refinements to show that the previously proposed ‘bridging carbonyls’ actually correspond to bridging methoxide groups, and that the crystals analyzed at the time therefore would correspond to the complex di-μ-methoxido-bis[tricarbonyl(pyridine)technetium], syn-[Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)]. This methoxide-bridged complex likely was a minor side product formed along with the main product in the above reaction, perhaps due to the presence of trace amounts of methanol and air in the reaction mixture. |
format | Online Article Text |
id | pubmed-10551881 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-105518812023-10-06 X-ray-determined structure of the technetium complex [Tc(2)(μ-CO)(2)(NC(5)H(5))(2)(CO)(6)] revisited: [Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)] as the correct formulation Zuhayra, Maaz Lützen, Arne Ruiz, Miguel A. Acta Crystallogr C Struct Chem Research Papers Some of us reported previously the structure of di-μ-carbonyl-bis[tricarbonyl(pyridine)technetium], [Tc(2)(μ-CO)(2)(C(5)H(5)N)(2)(CO)(6)], as the main product of the reaction of [Tc(2)(CO)(10)] with pyridine at room temperature, using the reagent itself as solvent [Zuhayra et al. (2008). Inorg. Chem. 47, 10177–10182]. On the basis of an X-ray analysis of the product, a molecular structure was proposed with two bridging carbonyls displaying very unusual geometrical features, not explained at the time. Subsequent chemical considerations, coupled with density functional theory (DFT) calculations, prompted us to revise the original structure determination. Using the original raw diffraction data, we have now performed new refinements to show that the previously proposed ‘bridging carbonyls’ actually correspond to bridging methoxide groups, and that the crystals analyzed at the time therefore would correspond to the complex di-μ-methoxido-bis[tricarbonyl(pyridine)technetium], syn-[Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)]. This methoxide-bridged complex likely was a minor side product formed along with the main product in the above reaction, perhaps due to the presence of trace amounts of methanol and air in the reaction mixture. International Union of Crystallography 2023-09-18 /pmc/articles/PMC10551881/ /pubmed/37725081 http://dx.doi.org/10.1107/S2053229623007957 Text en © Zuhayra et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Papers Zuhayra, Maaz Lützen, Arne Ruiz, Miguel A. X-ray-determined structure of the technetium complex [Tc(2)(μ-CO)(2)(NC(5)H(5))(2)(CO)(6)] revisited: [Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)] as the correct formulation |
title | X-ray-determined structure of the technetium complex [Tc(2)(μ-CO)(2)(NC(5)H(5))(2)(CO)(6)] revisited: [Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)] as the correct formulation |
title_full | X-ray-determined structure of the technetium complex [Tc(2)(μ-CO)(2)(NC(5)H(5))(2)(CO)(6)] revisited: [Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)] as the correct formulation |
title_fullStr | X-ray-determined structure of the technetium complex [Tc(2)(μ-CO)(2)(NC(5)H(5))(2)(CO)(6)] revisited: [Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)] as the correct formulation |
title_full_unstemmed | X-ray-determined structure of the technetium complex [Tc(2)(μ-CO)(2)(NC(5)H(5))(2)(CO)(6)] revisited: [Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)] as the correct formulation |
title_short | X-ray-determined structure of the technetium complex [Tc(2)(μ-CO)(2)(NC(5)H(5))(2)(CO)(6)] revisited: [Tc(2)(μ-OMe)(2)(NC(5)H(5))(2)(CO)(6)] as the correct formulation |
title_sort | x-ray-determined structure of the technetium complex [tc(2)(μ-co)(2)(nc(5)h(5))(2)(co)(6)] revisited: [tc(2)(μ-ome)(2)(nc(5)h(5))(2)(co)(6)] as the correct formulation |
topic | Research Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10551881/ https://www.ncbi.nlm.nih.gov/pubmed/37725081 http://dx.doi.org/10.1107/S2053229623007957 |
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