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Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4) N)manganese(III) trifluoromethanesulfonate
In the title salt, [Mn(C(44)H(28)N(4))(H(2)O)](CF(3)SO(3)) or [Mn(III)(TPP)(H(2)O)](CF(3)SO(3)) (where TPP is the dianion of 5,10,15,20-tetraphenylporphyrin), the Mn(III) cation is chelated by the four pyrrole N atoms of the porphyrinate anion and additionally coordinated by an aqua ligand in an a...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908522/ https://www.ncbi.nlm.nih.gov/pubmed/27308027 http://dx.doi.org/10.1107/S2056989016006630 |
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author | Harhouri, Wafa Mchiri, Chadlia Najmudin, Shabir Bonifácio, Cecilia Nasri, Habib |
author_facet | Harhouri, Wafa Mchiri, Chadlia Najmudin, Shabir Bonifácio, Cecilia Nasri, Habib |
author_sort | Harhouri, Wafa |
collection | PubMed |
description | In the title salt, [Mn(C(44)H(28)N(4))(H(2)O)](CF(3)SO(3)) or [Mn(III)(TPP)(H(2)O)](CF(3)SO(3)) (where TPP is the dianion of 5,10,15,20-tetraphenylporphyrin), the Mn(III) cation is chelated by the four pyrrole N atoms of the porphyrinate anion and additionally coordinated by an aqua ligand in an apical site, completing the distorted square-pyramidal coordination environment. The average Mn—N(pyrrole) bond length is 1.998 (9) Å and the Mn—O(aqua) bond length is 2.1057 (15) Å. The central Mn(III) ion is displaced by 0.1575 (5) Å from the N(4)C(20) mean plane of the porphyrinate anion towards the apical aqua ligand. The porphyrinate macrocycle exhibits a moderate ruffling and strong saddle deformations. In the crystal lattice, the [Mn(III)(TPP)(H(2)O)](+) cation and the trifluoromethanesulfonate counter-ions are arranged in alternating planes packed along [001]. The components are linked together through O—H⋯O hydrogen bonds and much weaker C—H⋯O and C—H⋯F interactions. The crystal packing is further stabilized by weak C—H⋯π interactions involving the pyrrole and phenyl rings of the porphyrin moieties. |
format | Online Article Text |
id | pubmed-4908522 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49085222016-06-15 Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4) N)manganese(III) trifluoromethanesulfonate Harhouri, Wafa Mchiri, Chadlia Najmudin, Shabir Bonifácio, Cecilia Nasri, Habib Acta Crystallogr E Crystallogr Commun Research Communications In the title salt, [Mn(C(44)H(28)N(4))(H(2)O)](CF(3)SO(3)) or [Mn(III)(TPP)(H(2)O)](CF(3)SO(3)) (where TPP is the dianion of 5,10,15,20-tetraphenylporphyrin), the Mn(III) cation is chelated by the four pyrrole N atoms of the porphyrinate anion and additionally coordinated by an aqua ligand in an apical site, completing the distorted square-pyramidal coordination environment. The average Mn—N(pyrrole) bond length is 1.998 (9) Å and the Mn—O(aqua) bond length is 2.1057 (15) Å. The central Mn(III) ion is displaced by 0.1575 (5) Å from the N(4)C(20) mean plane of the porphyrinate anion towards the apical aqua ligand. The porphyrinate macrocycle exhibits a moderate ruffling and strong saddle deformations. In the crystal lattice, the [Mn(III)(TPP)(H(2)O)](+) cation and the trifluoromethanesulfonate counter-ions are arranged in alternating planes packed along [001]. The components are linked together through O—H⋯O hydrogen bonds and much weaker C—H⋯O and C—H⋯F interactions. The crystal packing is further stabilized by weak C—H⋯π interactions involving the pyrrole and phenyl rings of the porphyrin moieties. International Union of Crystallography 2016-04-22 /pmc/articles/PMC4908522/ /pubmed/27308027 http://dx.doi.org/10.1107/S2056989016006630 Text en © Harhouri et al. 2016 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 | Research Communications Harhouri, Wafa Mchiri, Chadlia Najmudin, Shabir Bonifácio, Cecilia Nasri, Habib Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4) N)manganese(III) trifluoromethanesulfonate |
title | Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4)
N)manganese(III) trifluoromethanesulfonate |
title_full | Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4)
N)manganese(III) trifluoromethanesulfonate |
title_fullStr | Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4)
N)manganese(III) trifluoromethanesulfonate |
title_full_unstemmed | Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4)
N)manganese(III) trifluoromethanesulfonate |
title_short | Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4)
N)manganese(III) trifluoromethanesulfonate |
title_sort | synthesis, ft–ir characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ(4)
n)manganese(iii) trifluoromethanesulfonate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908522/ https://www.ncbi.nlm.nih.gov/pubmed/27308027 http://dx.doi.org/10.1107/S2056989016006630 |
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