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(2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)

The title compound, [Fe(C(44)H(28)N(4))(C(6)HF(4)O)], is a porphyrin complex with iron(III) in fivefold coordination with a tetra­fluoro­phenolate group as the axial ligand. The Fe atom and the phenolate ligand are disordered across the porphyrin ring with the two phenolates appearing to be roughly...

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Autores principales: Xu, Nan, Powell, Douglas R., Richter-Addo, George B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790366/
https://www.ncbi.nlm.nih.gov/pubmed/24098188
http://dx.doi.org/10.1107/S160053681302607X
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author Xu, Nan
Powell, Douglas R.
Richter-Addo, George B.
author_facet Xu, Nan
Powell, Douglas R.
Richter-Addo, George B.
author_sort Xu, Nan
collection PubMed
description The title compound, [Fe(C(44)H(28)N(4))(C(6)HF(4)O)], is a porphyrin complex with iron(III) in fivefold coordination with a tetra­fluoro­phenolate group as the axial ligand. The Fe atom and the phenolate ligand are disordered across the porphyrin ring with the two phenolates appearing to be roughly related by a center of symmetry. The occupancies of the two phenolate groups refined to 0.788 (3) for the major component and 0.212 (3) for the minor component. The structure shows extraordinary Fe displacements of 0.488 (4) (major) and 0.673 (4) Å (minor) from the 24-atom mean plane of the porphyrin. The Fe—N(p) distances range from 2.063 (4) to 2.187 (6) Å and the Fe—O distances are 1.903 (5) Å for major component and 1.87 (2) Å for minor component. The four phenyl groups attached to the porphyrin ring form dihedral angles of 63.4 (4), 49.6 (4), 62.4 (4), and 63.3 (4)° (in increasing numerical order) with the three nearest C atoms of the porphyrin ring. The major and minor component phenolate groups form dihedral angles of 24.9 (4)° and 24.8 (4)°, respectively, with the four porphyrin N atoms. The Fe⋯Fe distance between the two iron(III) atoms of adjacent porphyrin mol­ecules is 6.677 (3) Å. No close inter­molecular inter­action was observed. The crystal studied was twinned by inversion, with a major–minor component ratio of 0.53 (3):0.47 (3).
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spelling pubmed-37903662013-10-04 (2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III) Xu, Nan Powell, Douglas R. Richter-Addo, George B. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, [Fe(C(44)H(28)N(4))(C(6)HF(4)O)], is a porphyrin complex with iron(III) in fivefold coordination with a tetra­fluoro­phenolate group as the axial ligand. The Fe atom and the phenolate ligand are disordered across the porphyrin ring with the two phenolates appearing to be roughly related by a center of symmetry. The occupancies of the two phenolate groups refined to 0.788 (3) for the major component and 0.212 (3) for the minor component. The structure shows extraordinary Fe displacements of 0.488 (4) (major) and 0.673 (4) Å (minor) from the 24-atom mean plane of the porphyrin. The Fe—N(p) distances range from 2.063 (4) to 2.187 (6) Å and the Fe—O distances are 1.903 (5) Å for major component and 1.87 (2) Å for minor component. The four phenyl groups attached to the porphyrin ring form dihedral angles of 63.4 (4), 49.6 (4), 62.4 (4), and 63.3 (4)° (in increasing numerical order) with the three nearest C atoms of the porphyrin ring. The major and minor component phenolate groups form dihedral angles of 24.9 (4)° and 24.8 (4)°, respectively, with the four porphyrin N atoms. The Fe⋯Fe distance between the two iron(III) atoms of adjacent porphyrin mol­ecules is 6.677 (3) Å. No close inter­molecular inter­action was observed. The crystal studied was twinned by inversion, with a major–minor component ratio of 0.53 (3):0.47 (3). International Union of Crystallography 2013-09-28 /pmc/articles/PMC3790366/ /pubmed/24098188 http://dx.doi.org/10.1107/S160053681302607X Text en © Xu et al. 2013 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 Metal-Organic Papers
Xu, Nan
Powell, Douglas R.
Richter-Addo, George B.
(2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)
title (2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)
title_full (2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)
title_fullStr (2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)
title_full_unstemmed (2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)
title_short (2,3,5,6-Tetra­fluoro­phenolato-κO)(5,10,15,20-tetra­phenyl­porphyrinato)iron(III)
title_sort (2,3,5,6-tetra­fluoro­phenolato-κo)(5,10,15,20-tetra­phenyl­porphyrinato)iron(iii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3790366/
https://www.ncbi.nlm.nih.gov/pubmed/24098188
http://dx.doi.org/10.1107/S160053681302607X
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