Bis(dimethyl sulfide)–closo-nonaborane(7)

Abstract

C4H19B982, orthorhombic, P212121, a = 7.879(2), b = 9.014(2), c = 19.436 (4) A, V = 1379.4 ,/~3, Z = 4, D x = 1.101 Mg m -3. The structure has been refined by block-diagonal least-squares methods using 1538 observed independent dif- fractometer-measured intensity data to R =0.079, R w = 0.087. The boron cage is a tricapped trigonal prism with one dimethyl sulfide group bonded to a capping B atom and the other to a trigonal prismatic B atom. Anisotropic effects were significant for the S and C atoms only. The most important part of the structure, the boron cage, did not contribute significantly to the anisotropic refinement. In the final cycles of refine- Table 1. Fractional coordinates (×104 for non-H atoms, x l03 for H atoms), equivalent isotropic thermal parameters for non-H atoms, and isotropic