Electron Density Distribution and Structural and Energy Aspects of the Phase Transition in the Crystals of the Triphenylantimony Dimethacrylate Complex

The electron density distribution in Ph3Sb(O2CC(Me)=CH2)2 ⋅ C6H6 and structural and energy aspects of the phase transition in the crystals of this compound were investigated using a series of common (Ib−Ie) and high-precision (Ia) X-ray diffraction experiments. A considerable difference between the root-mean-square atomic displacements in two chemically equivalent methyl groups of the methacrylate ligands was revealed. This difference was shown to be caused by considerable energy difference of the intra- and intermolecular contacts of the corresponding methyl groups.