A C3v-distorted structure is adopted by the nearly trigonal-prismatic [Mo(CH3)6] molecules in the crystal (see picture). The octahedron, on which so much complex chemistry is based, is in this case the most unsuitable structure principle. The [Mo(CH3)6] ion avoids interligand angles of 180° as does the [Mo(CH3)7]− ion with a seven-coordinate Mo center and capped octahedral structure.