ORGANOMETALLIC OXIDES - THE CRYSTAL-STRUCTURE OF [(ETA-C5H5)TI](8)(MU-O)(12)

The structure of the complex [(eta-C5H5)Ti](8)(mu-O)(12) has been determined in a crystal of [(eta-C5H5)Ti](8)(mu-O)(12).6 CH3CN (space group P1, Z = 1, lattice dimensions at -40 degrees C: a = 1053.9(3), b = 1292.9(1), c = 1304.0(2) pm, alpha = 61.18(1)degrees, P = 71.73(2)degrees, gamma = 70.35(2)degrees, structure solved using 2164 observed unique reflections, R = 0.043). The Ti atoms occupy the corners of an approximate cube. The 12 oxygen atoms are at the mid point of the edges connecting the Ti atoms. Two pairs of the 12 Ti-O-Ti bridge angles are 147.9(3)degrees and 148.6(3)degrees, the remaining eight bridge angles are between 162.4(3)degrees and 163.9(3)degrees. The Ti-O distances are between 179.5(5) and 181.8(5) pm with an average of 180.5(5) pm. Each Ti atom is capped by an eta(5)-cyclopentadienyl ligand. The same subane-like unit has been found in [(eta-C5H5)Ti](4)(eta(2)-Se)(3)(eta(3)-Se)(3).[(eta-C5H5)Ti](8)(eta(2)-O)(12).Et(3)N.THF.