Synthesis and structural characterization of the first seven-vertex nido-carborane anion: nido-3,4-Et2C2B5H6-

Article abstract of DOI:10.1021/om00094a038

The reaction of closo-2,3-Et₂C₂B₅H₅ with Li-(BEt₃)H in the presence of (CH₃)₄NCl has been found to result in the formation of the first seven-vertex nido-carborane anion nido-3,4-Et₂C₂B₅H₆^-. A single-crystal X-ray study has demonstrated that the anion adopts an open-cage geometry based on a dodecahedron missing one five-connected vertex. Crystal data: space group P2₁2₁2₁, Z = 4, a = 9.257 (1) ?, b = 9.359 (3) ?, c = 17.803 (2) ?. The structure was refined by full-matrix least squares to a final R of 0.055 and R_w of 0.064 for the 1128 unique reflections having F_o² > 3σ(F_o²).