Synthesis, Ft-Ir Characterization And Crystal Structure Of Aqua(5,10,15,20-Tetraphenylporphyrinato-Kappa N-4)Manganese(Iii) Trifluoromethanesulfonate

In the title salt, [Mn(C44H28N4)(H2O)](CF3SO3) or [Mn-III(TPP)(H2O)](CF3SO3) (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) angstrom and the Mn-O(aqua) bond length is 2.1057 (15) angstrom. The central Mn-III ion is displaced by 0.1575 (5) angstrom 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 [Mn-III(TPP)(H2O)](+) cation and the trifluoromethanesulfonate counter-ions are arranged in alternating planes packed along [001]. The components are linked together through O-H center dot center dot center dot O hydrogen bonds and much weaker C-H center dot center dot center dot O and C-H center dot center dot center dot F interactions. The crystal packing is further stabilized by weak C-H center dot center dot center dot pi interactions involving the pyrrole and phenyl rings of the porphyrin moieties.