title: The molecular structure of high-spin (S = 5/2) manganese(II) phthalocyanine in tetrabutylammonium bromido(phthalocyaninato)manganese(II).
abstract: 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).
authors.affiliation: Institute of Problems of Chemical Physics, Russian Academy of Science, Chernogolovka 142432, Russian Federation.
authors.forename: Dmitri V
authors.initials: DV
authors.lastname: Konarev
authors.affiliation: Institute of Solid State Physics, Russian Academy of Science, Chernogolovka 142432, Russian Federation.
authors.forename: Alexey V
authors.initials: AV
authors.lastname: Kuzmin
authors.affiliation: Institute of Solid State Physics, Russian Academy of Science, Chernogolovka 142432, Russian Federation.
authors.forename: Salavat S
authors.initials: SS
authors.lastname: Khasanov
authors.affiliation: Institute of Problems of Chemical Physics, Russian Academy of Science, Chernogolovka 142432, Russian Federation.
authors.forename: Rimma N
authors.initials: RN
authors.lastname: Lyubovskaya
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D004578:Electron Spin Resonance Spectroscopy; D007211:Indoles / Q000737:chemistry*; D054833:Isoindoles; D008345:Manganese / Q000737:chemistry*; D015394:Molecular Structure
chemical_list: D056831:Coordination Complexes; D007211:Indoles; D054833:Isoindoles; D008345:Manganese; C013647:phthalocyanine
keywords: crystal structure; high-spin manganese(II) complex; phthalocyanine ligand; tetrabutylammonium salt