Zg. Lewis et Aj. Welch, STRUCTURE OF 1,2-DIPHENYLCARBABORANE, 1,2-PH2-1,2-CLOSO-C2B10H10, Acta crystallographica. Section C, Crystal structure communications, 49, 1993, pp. 705-710
1,2-Diphenyl-1,2-dicarba-closo-dodecaborane(12), C14H20B10, M(r) = 296
.41, monoclinic, P2(1)/c, a = 10.832 (4), b = 24.890 (13), c = 13.9243
(21) angstrom, beta = 111.881 (21)degrees, V = 3483.6 angstrom3, Z =
8, D(x) = 1. 130 Mg m-3, lambda(Mo Kalpha) = 0.71069 angstrom, mu = 0.
051 mm-1, F(000) = 1232, T = 291 (1) K, R = 0.0703 for 3779 independen
t observed reflections. The C2B10 fragments of the two crystallographi
cally independent molecules are practically superimposable (r.m.s. mis
fit 0.013 angstrom), but the phenyl rings of molecule B are slightly t
wisted (in a conrotatory manner) relative to those in molecule A. In g
eneral terms, however, the phenyl rings in both molecules lie roughly
perpendicular to the plane through the atomic sequence C(aryl)-C(cage)
-C(cage)-C(aryl). The C(cage)-C(cage) distance is 1.733 (4) angstrom i
n molecule A and 1.720 (4) angstrom in molecule B.