Cargando…
(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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1782286580652703744 |
---|---|
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). |
format | Online Article Text |
id | pubmed-3790366 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT xunan 2356tetrafluorophenolatoko5101520tetraphenylporphyrinatoironiii AT powelldouglasr 2356tetrafluorophenolatoko5101520tetraphenylporphyrinatoironiii AT richteraddogeorgeb 2356tetrafluorophenolatoko5101520tetraphenylporphyrinatoironiii |