The crystal and molecular structure of tetrakis(chloromethyl)hexathiaadamantane

The crystal structure has been determined from 672 reflexions. The crystals are tetragonal with space group 141]a with 4 molecules per unit cell. The cell dimensions are a = b = 8681, e = 2046 A. The structure was solved by the heavy-atom technique and refined by block-diagonal least-squares calculations to R= 0.060. The molecule has a 74 axis through two of the S atoms, the other four lying in a plane perpendicular to the axis. Four C atoms lie outside the faces of the S octahedron and with the attached C-CI groups form planes roughly parallel to the 74 axes. The bond lengths and angles are all normal. The molecules pack in the form of a nested, interlocking structure with no especially short contacts.