CRYSTAL STRUCTURE OF 6,9-BIS(4-STILBAZOLE)-NIDO-DECABORANE(12), 6,9-[4-(PhC₂H₂)Py]₂B₁₀H₁₂/b>. V.I. Alekseev, T.M. Polyanskaya, S.T. Dunaev, E.A.Il'inchik , Institute of Inorganic Chemistry Sib. Branch RAS, Novosibirsk, Russia

A single-crystal X-ray study has been performed for the title decaborane(14) derivative. The sample used was prepared by the well known type of displacement reaction of (SMe₂)₂B₁₀H₁₂ with 4-stilbazole and was recrystallized from hot dimethylformamide.

The most interesting feature of the compound is that four crystallographically independent asymmetrical molecules exist in the unit cell due to different arrangements of both the two cycle aromatic pyridine and phenol fragments and those in respect to the three-dimensional aromatic B₁₀H₁₂ nido-cluster.

The nitrogen atoms of pyridine are linked to the 6,9-boron atoms on the open face of the B₁₀ basket at the mean distance of 1.60 . The following mean bond lengths are B-B 1.80, C-N 1.33, C-C 1.40 and 1.38 for Py and Ph, respectively.

Crystal data: dark red color, triclinic P1, a=11.285(1), b=13.061(2), c=21.176(2) , =85.37(1), =102.26(1), =115.58(1), V=2750.7(7) ³, Z=4, D_c=1.165 gcm^-1, CAD-4, MoK.

As a solid, this compound exhibites a photoluminescence (_f=653 nm) with the quantum yield approximating that of rhodamine 6G.