Synthesis, FT–IR characterization and crystal structure of aqua(5,10,15,20-tetraphenylporphyrinato-κ4N)manganese(III) trifluoromethanesulfonate

In the title salt, [Mn(C44H28N4)(H2O)](CF3SO3) or [MnIII(TPP)(H2O)](CF3SO3) (where TPP is the dianion of 5,10,15,20-tetraphenylporphyrin), the MnIII 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 MnIII ion is displaced by 0.1575 (5) Å from the N4C20 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 [MnIII(TPP)(H2O)]+ 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