CRYSTAL-STRUCTURE OF NYL-ETA(4)-HEXAKIS(TRIFLUOROMETHYL)BENZENERHODIUM, RH(ETA(5)-C5H5)(ETA(4)-C6(CF3)6] - A NEW STUDY WITH COUNTER DATA

The title compound crystallizes in the centrosymmetric monoclinic spac e group P2(1)/n (No. 14) with a = 9.4263(10), b = 12.6057(11), c = 16. 3095(16) angstrom, beta = 97.338(8)-degrees, V = 1922.1(3) angstrom3 a nd Z = 4. The structure was solved and refined to R = 7.1% for 2521 in dependent reflections. Evidence is presented of systematic errors caus ed by libration or disorder of the CF3 groups. The most interesting ch emical feature is the non-planar eta4-benzene ligand which has a bend of 46.9-degrees about its C(1)...C(4) axis. Rh-C(benzene) distances ar e (cyclically) 2.127(8), 2.092(7), 2.080(9), 2.162(9), 3.044(9) and 3. 013(9) angstrom.