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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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Autores principales: Zuhayra, Maaz, Lützen, Arne, Ruiz, Miguel A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
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.
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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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