Dinuclear Nickel（Ⅱ） Complex with a Rare Ni（μ2-O）3Ni Core： Crystal Structure and Magnetic Studies

The first triple μ2-O-bridged dinuclear Ni(II) complex, [Ni2(Flu)3](ClO4)·(H2O) (1, HFlu = 2-(2′,4′-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol), has been synthesized and structurally and magnetically characterized. Complex 1 crystallizes in monoclinic, space group P21/n with a = 12.7143(3), b = 21.3392(6), c = 17.6497(5), β = 106.142(2)o, V = 4599.8(2)3, Z = 4, μ(MoKα) = 0.975 mm-1, Dc = 1.662 g/cm3, GOF = 0.83, the final R (I > 2σ(I)) = 0.0503 and wR (all data) = 0.1288. In 1, three Flu anions encapsulate two nickel(II) ions bridged by three deprotonated μ2-O groups. The central alkoxo and terminal triazolyl group chelate one nickel(II) in a six-membered boat configuration. Variable temperature magnetic susceptibilities show an intramolecular anti-ferromagnetic interaction between the Ni(II) ions with J = -26.7(3) cm-1.