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Mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu)

The Pd(II)-catalysed reaction of [(C(5)Ph(5))Fe(CO)(2)Br] with Grignard com­pounds RMgX or butyl lithium gave the iron alk­yl/aryl com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu) in 59–73% yield, namely, di­carbonyl­meth­yl(η(5)-penta­phenyl­cyclo­penta­dien­yl)iron, [Fe(CH(3))(C(35)H(2...

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Detalles Bibliográficos
Autores principales: Sünkel, Karlheinz, Klein-Hessling, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8254530/
https://www.ncbi.nlm.nih.gov/pubmed/34216442
http://dx.doi.org/10.1107/S2053229621006057
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author Sünkel, Karlheinz
Klein-Hessling, Christian
author_facet Sünkel, Karlheinz
Klein-Hessling, Christian
author_sort Sünkel, Karlheinz
collection PubMed
description The Pd(II)-catalysed reaction of [(C(5)Ph(5))Fe(CO)(2)Br] with Grignard com­pounds RMgX or butyl lithium gave the iron alk­yl/aryl com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu) in 59–73% yield, namely, di­carbonyl­meth­yl(η(5)-penta­phenyl­cyclo­penta­dien­yl)iron, [Fe(CH(3))(C(35)H(25))(CO)(2)], dicarbon­yl(η(5)-penta­phenyl­cyclo­penta­dien­yl)phenyliron, [Fe(C(6)H(5))(C(35)H(25))(CO)(2)], dicarbon­yl(isoprop­yl)(η(5)-penta­phenyl­cyclo­penta­dien­yl)iron, [Fe(C(3)H(7))(C(35)H(25))(CO)(2)], and butyl­dicarbon­yl(η(5)-penta­phenyl­cyclo­penta­dien­yl)iron, [Fe(C(4)H(9))(C(35)H(25))(CO)(2)]. The crystal structure determinations showed the usual ‘paddle-wheel’ orientation of the phenyl rings, with an average canting angle of ca 50°. The bond parameters are mainly dictated by the steric requirements of the alk­yl/aryl groups and only the phenyl com­plex shows electronic effects.
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spelling pubmed-82545302021-07-12 Mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu) Sünkel, Karlheinz Klein-Hessling, Christian Acta Crystallogr C Struct Chem Research Papers The Pd(II)-catalysed reaction of [(C(5)Ph(5))Fe(CO)(2)Br] with Grignard com­pounds RMgX or butyl lithium gave the iron alk­yl/aryl com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu) in 59–73% yield, namely, di­carbonyl­meth­yl(η(5)-penta­phenyl­cyclo­penta­dien­yl)iron, [Fe(CH(3))(C(35)H(25))(CO)(2)], dicarbon­yl(η(5)-penta­phenyl­cyclo­penta­dien­yl)phenyliron, [Fe(C(6)H(5))(C(35)H(25))(CO)(2)], dicarbon­yl(isoprop­yl)(η(5)-penta­phenyl­cyclo­penta­dien­yl)iron, [Fe(C(3)H(7))(C(35)H(25))(CO)(2)], and butyl­dicarbon­yl(η(5)-penta­phenyl­cyclo­penta­dien­yl)iron, [Fe(C(4)H(9))(C(35)H(25))(CO)(2)]. The crystal structure determinations showed the usual ‘paddle-wheel’ orientation of the phenyl rings, with an average canting angle of ca 50°. The bond parameters are mainly dictated by the steric requirements of the alk­yl/aryl groups and only the phenyl com­plex shows electronic effects. International Union of Crystallography 2021-06-16 /pmc/articles/PMC8254530/ /pubmed/34216442 http://dx.doi.org/10.1107/S2053229621006057 Text en © Sünkela and Klein-Hessling 2021 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
Sünkel, Karlheinz
Klein-Hessling, Christian
Mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu)
title Mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu)
title_full Mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu)
title_fullStr Mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu)
title_full_unstemmed Mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu)
title_short Mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(C(5)Ph(5))Fe(CO)(2) R] (R = Me, Ph, iPr and Bu)
title_sort mol­ecular structures of the penta­phenyl­cyclo­penta­dienyl iron com­plexes [(c(5)ph(5))fe(co)(2) r] (r = me, ph, ipr and bu)
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8254530/
https://www.ncbi.nlm.nih.gov/pubmed/34216442
http://dx.doi.org/10.1107/S2053229621006057
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