Direct synthesis and crystal structure of a novel tetranuclear Co2IIIFe2III Schiff base complex

Abstract

The title compound, tetra(µ-2-3-(2-oxybenzylideneamino)-1-hydroxypropan-2-olato)-4-nitrophenolatedi-cobalt(III)-di-iron(III) dimethylsulfoxidehexasolvate, crystallizes in the monoclinic space group P2₁/c and represent the first example of heterometallic Co^III-Fe^III complex with 3-((5-nitro-2-hydroxybenzylidene)amino)propane-1,2-diol/2-(((2,3-dihydroxy propyl)iminio)methyl)-4-nitrophenolate) - a hydroxyl rich Schiff base ligand which was obtained in situ. Crystal data for C₅₂H₇₄Cl₂Co₂Fe₂N₈O₂₆S₆ (M = 1720.01 g/mol): monoclinic, space group P2₁/c (no. 14), a = 16.353(3) Å, b = 15.234(2) Å, c = 15.201(3) Å, β = 113.99(2)°, V = 3460.0(12) Å³, Z = 2, T = 173(2) K, μ(MoKα) = 1.225 mm^-1, Dcalc = 1.651 g/cm³, 14130 reflections measured (5.7° ≤ 2Θ ≤ 57.266°), 7748 unique (R_int = 0.1051, R_sigma = 0.2148) which were used in all calculations. The final R₁ was 0.0914 (I > 2σ(I)) and wR₂ was 0.2279 (all data). The metal ions have distorted octahedral coordination geometry and are joined in a tetranuclear {Co₂Fe₂(µ-O)₆} core by O-bridging atoms from the ligand. There are numerous intermolecular interactions occurring between the components of the crystal: π-hole interaction between NO₂···NO₂ groups of the ligands, short S···S, O···O and C··· C interactions and weak and strong hydrogen bonds.