Structure of an Organotitanoxane Containing a Tetrahedral Cage,

The crystal structure of the title compound has been analyzed by single crystal X-ray diffraction method. The compound crystallized in the triclinic space group $P\bar{1}$ with a=11.300(6) ${\AA}$, c=18.716(10) ${\AA}$, ${\alpha}=82.833(10)^{\circ}$, ${\beta}=83.042(11)^{\circ}$, ${\gamma}=66.139(10)^{\circ}$, $V=2162(2)\;{\AA}^{3}$, Z=2 and R1=0.661 for 10578 unique reflections. The four $C_{5}Me_{5}$ planar groups from a tetrahedron with a mean dihedral angle $70.92(9)^{\circ}$ among them and the $Ti_{4}O_{6}$ cage sits at the center of the tetrahedron. Each Ti atom in the $Ti_{4}O_{6}$ cage is bonded by three bridging oxygen atoms and coordinated by a $C_{5}Me_{5}$ ligand with a mean distance $2.067{\AA}$ from Ti atoms to the centroids of the four five-membered rings. Two oxygen atoms facing each other in $Ti_{4}O_{6}$ cage are $4.051(3){\AA}$ away in average.