Solvothermal synthesis and crystal structure of the novel closo 12-vertex nickeladodecaborane cluster H 2 [Cl 2 NiB 11 H 6 -2,3,4,5,6-(O i Pr) 5 ].

The reaction of [NiCl 2 (PPh 3 ) 2 ] with in i PrOH under solvothermal conditions gives a nickeladodecaborane cluster: H 2 [Cl 2 NiB 11 H 6 -2,3,4,5,6-(O i Pr) 5 ] which was characterized by FT-IR, NMR spectroscopy and elemental analysis. It was also characterized by an X-ray diffraction study of a single crystal. The title cluster belongs to monoclinic, space group P 2(1)/ n , with crystal cell parameters: a   =  12.355(13)  Å, b   =  18.471(19)  Å, c   =  12.956(14)  Å, β  =  93.524(18)°, Z   =  4, D Calcd   =  1.242  Mg  m -3 , F (000)  =  1160, R 1   =  0.0746, wR 2   =  0.1829. The cluster has a closo 12-vertex {NiB 11 } icosahedral skeleton, in which Ni connects with two Cl atoms and five B atoms. O i Pr groups substituted all five H atoms on the boron cage atoms adjacent to Ni. [ABSTRACT FROM AUTHOR]