The molecular structure of high-spin (S = 5/2) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II).

The title complex salt, (C16H36N)[MnBr(C32H16N8)] or (TBA)[Mn(II)Br(Pc)] (TBA is tetrabutylammonium and Pc is phthalocyaninate), has been obtained as single crystals by the diffusion technique and its crystal structure was determined using X-ray diffraction. The high-spin (S = 5/2) Mn(II)Br(Pc) macrocycle has a concave conformation, with an average equatorial Mn-N(Pc) bond length of 2.1187 (19) Å, an axial Mn-Br bond length of 2.5493 (7) Å and with the Mn(II) cation displaced out of the 24-atom Pc plane by 0.894 (2) Å. The geometry of the Mn(II)N4 fragment in Mn(II)Br(Pc) is similar to that of the high-spin (S = 5/2) manganese(II) tetraphenylporphyrin (TPP) in [Mn(II)(1-MeIm)(TPP)] (1-MeIm is 1-methylimidazole).