{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,16]],"date-time":"2026-02-16T15:59:46Z","timestamp":1771257586866,"version":"3.50.1"},"reference-count":22,"publisher":"International Union of Crystallography (IUCr)","issue":"5","license":[{"start":{"date-parts":[[2016,4,22]],"date-time":"2016-04-22T00:00:00Z","timestamp":1461283200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"},{"start":{"date-parts":[[2016,4,22]],"date-time":"2016-04-22T00:00:00Z","timestamp":1461283200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr E Cryst Commun","Acta Cryst E","Acta Cryst Sect E","Acta Crystallogr E","Acta Crystallogr Sect E","Acta Cryst E Cryst Commun","Acta Cryst Sect E Cryst Commun"],"published-print":{"date-parts":[[2016,5,1]]},"abstract":"<jats:p>In the title salt, [Mn(C<jats:sub>44<\/jats:sub>H<jats:sub>28<\/jats:sub>N<jats:sub>4<\/jats:sub>)(H<jats:sub>2<\/jats:sub>O)](CF<jats:sub>3<\/jats:sub>SO<jats:sub>3<\/jats:sub>) or [Mn<jats:sup>III<\/jats:sup>(TPP)(H<jats:sub>2<\/jats:sub>O)](CF<jats:sub>3<\/jats:sub>SO<jats:sub>3<\/jats:sub>) (where TPP is the dianion of 5,10,15,20-tetraphenylporphyrin), the Mn<jats:sup>III<\/jats:sup>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\u2014N(pyrrole) bond length is 1.998\u2005(9)\u2005\u00c5 and the Mn\u2014O(aqua) bond length is 2.1057\u2005(15)\u2005\u00c5. The central Mn<jats:sup>III<\/jats:sup>ion is displaced by 0.1575\u2005(5)\u2005\u00c5 from the N<jats:sub>4<\/jats:sub>C<jats:sub>20<\/jats:sub>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<jats:sup>III<\/jats:sup>(TPP)(H<jats:sub>2<\/jats:sub>O)]<jats:sup>+<\/jats:sup>cation and the trifluoromethanesulfonate counter-ions are arranged in alternating planes packed along [001]. The components are linked together through O\u2014H...O hydrogen bonds and much weaker C\u2014H...O and C\u2014H...F interactions. The crystal packing is further stabilized by weak C\u2014H...\u03c0 interactions involving the pyrrole and phenyl rings of the porphyrin moieties.<\/jats:p>","DOI":"10.1107\/s2056989016006630","type":"journal-article","created":{"date-parts":[[2016,4,26]],"date-time":"2016-04-26T11:26:43Z","timestamp":1461670003000},"page":"720-723","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":10,"title":["Synthesis, FT\u2013IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-\u03ba<sup>4<\/sup><i>N<\/i>)manganese(III) trifluoromethanesulfonate"],"prefix":"10.1107","volume":"72","author":[{"given":"Wafa","family":"Harhouri","sequence":"first","affiliation":[]},{"given":"Chadlia","family":"Mchiri","sequence":"additional","affiliation":[]},{"given":"Shabir","family":"Najmudin","sequence":"additional","affiliation":[]},{"given":"Cecilia","family":"Bonif\u00e1cio","sequence":"additional","affiliation":[]},{"given":"Habib","family":"Nasri","sequence":"additional","affiliation":[]}],"member":"329","published-online":{"date-parts":[[2016,4,22]]},"reference":[{"key":"wm5285_bb1","doi-asserted-by":"crossref","first-page":"7268","DOI":"10.1021\/bi00444a019","volume":"28","author":"Bernadou","year":"1989","journal-title":"Biochemistry"},{"key":"wm5285_bb2","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1016\/S0010-8545(00)80024-7","volume":"7","author":"Boucher","year":"1972","journal-title":"Coord. 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