Di-μ-benzoato-di-μ-ethano-lato-tetra-kis-[μ3-5-(hy-droxy-meth-yl)-2-methyl-4-(oxidometh-yl)pyridin-1-ium-3-olato]tetra-kis-[μ3-5-(hy-droxy-meth-yl)-2-methyl-4-(oxidometh-yl)pyridin-3-olato]di-μ3-oxido-hepta-manganese(II,III) ethanol octa-solvate

IUCrdata. 2021 Jan 5;6(Pt 1):x201643. doi: 10.1107/S2414314620016430. eCollection 2021 Jan.

Abstract

Our work in the area of synthesis of polynuclear manganese complexes and their magnetic properties led to the synthesis and crystallization of the title compound, [Mn7(C8H9NO3)4(C8H10NO3)4(C2H5O)2(C7H5O2)2O2]·8C2H5OH. Herein, we report the molecular and crystal structure of the title compound, which was synthesized by the reaction of Mn(C6H5COO)2 with pyridoxine (PNH2, C8H11NO3) followed by the addition of tetra-methyl-ammonium hydroxide (TMAOH). The core of this centrosymmetric complex is a cage-like structure consisting of six MnIII ions and one MnII ion bound together through Mn-O bonds. The compound crystallizes in hydrogen-bonded layers formed by O-H⋯N hydrogen bonds involving the aromatic amine group of the ligand PN2- with the neighboring O atoms from the PNH- ligand. The crystal structure has large voids present in which highly disordered solvent mol-ecules (ethanol) sit. A solvent mask was calculated and 181 electrons were found in a volume of 843 Å3 in one void per triclinic unit cell. This is consistent with the presence of seven ethanol mol-ecules per formula unit, which accounts for 182 electrons per unit cell. Additionally, one ethanol mol-ecule was found to be ordered in the crystal.

Keywords: crystal structure; manganese; polynuclear complex; pyridoxine.

Grants and funding

Funding for this research was provided by: National Science Foundation (grant No. 1359229).