Abstract
Abstract A novel hexanuclear eight-coordinate complex, [Zr6(OH)8(OCH3)4(Ph2CHCOO)12]·2CH3CN (1), has been prepared and characterized on the basis of elemental analysis, infrared-spectroscopy measurements, and X-ray crystallography. The crystallographic data for complex 1 are : monoclinic, P21/n, a = 18.09(1), b=21.73(2), c = 20.349(8) Å, β = 96.26(4)°, V = 7952(8) Å3, Z = 2, R = 0.055 and Rw = 0.058 for 5133 observed reflections [I > 3σ(I)]. Complex 1 resides on a crystallographic inversion center, thus making only three of the six zirconium unique. The six zirconium ions are arranged in apices of an octahedron. Two axial Zr(IV) metal ions (Zr1, Zr1*) are joined with four equatorial Zr(IV) metal ions (Zr2, Zr2*, Zr3, Zr3*) by eight syn–syn bridging carboxylate groups, and both axial Zr(IV) ions have four triangle μ3-OH bridges through equatorial Zr(IV) metal ions. On the other hand, each equatorial Zr(IV) metal ion is connected with axial Zr(IV) metal ions by two bridging carboxylates and four triangle μ3-OH bridges. Besides these, each equatorial Zr(IV) metal ion is coordinated by one monodentate carboxylate and one methoxy group.
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