Synthesis and Characterization of the Isocyanide Ligated Centered Zirconium Halide Cluster [(Zr6Be)Cl12(CNXyl)6] Academic Article uri icon


  • The first isocyanide ligated hexanuclear zirconium halide cluster is reported. The unoxidized [(Zr6Be)Cl12(CNXyl)6] (CNXyl = 2,6-dimethylphenyl isocyanide) was obtained from the solid state precursor K3Zr6Cl15 Be by dissolution in CH3CN in the presence of CNXyl. The CNXyl ligands occupy all the axial positions on the cluster. The compound was recrystallized from CH2Cl2 and Et2O. [(Zr6Be)Cl12(CNXyl)6]·2CH 2Cl2 crystallizes in the space group P1 (#2) with a = 12.092(5) Å, b = 12.728(5) Å, c = 14.102(8) Å, α = 104.98(4)°, β = 107.11°, γ = 100.94°, V = 1919(2) Å3, Z = 1, R = 11.3% and Rw = 27.0%. For the bound isocyanide ligands, vCN increases to 2140 cm-1.

author list (cited authors)

  • Harris, J. D., & Hughbanks, T

complete list of authors

  • Harris, Jerry D||Hughbanks, Timothy

publication date

  • January 1, 1997 11:11 AM