MOLECULAR-STRUCTURE OF A MIXED-VALENCE 1,1'-BIRUTHENOCENE DERIVATIVE,IODOBIRUTHENOCENIUM(II,IV) TETRAFLUOROBORATE

The crystal structure of iodo-1,1'-biruthenocenium(II,IV) tetrafluorob orate, [Ru(II)Cp(H4C5C5H4)CpRu(IV)]+BF4-, which is prepared by oxidati on of 1,1'-biruthenocene, RcRc, with the iodoruthenocenium(IV)+BF4- sa lt, has been determined by X-ray analysis. It crystallizes in the mono clinic space group P2(1)/n with a = 25.078(12) angstrom, b = 10.599(12 ) angstrom, c = 7.652(8) angstrom, beta = 95.17(8)degrees, V = 2026(3) angstrom3, and Z = 4, and the final R obtained was 0.075. The cation has a trans conformation. The cyclopentadienyl rings in the [Cp(C5H4)R uI]+ moiety are slanted largely due to the bond formation of the I-Ru( IV) bond (2.717(2) angstrom). The dihedral angle between the Cp ring a nd fulvenide ligand is found to be 42.40-degrees.