Na. Baturin et al., CRYSTAL-STRUCTURE AND MOLECULAR-STRUCTURE OF THE ETHYLENEDIAMINE COMPLEX [TC(CO)(3)BR-CENTER-DOT-EN], Radiochemistry, 36(3), 1994, pp. 219-221
An x-ray structure analysis is completed for the ethylenediamine compl
ex [Tc(CO)(3)Br(.)en]. The crystals belong to the monoclinic system, a
= 7.013(1), b = 13.177(8), c = 10.736(5) Angstrom, beta = 101.73(3)de
grees space group P2(1)/n, Z = 4, d(calc) = 2.19 g/cm(3). The crystal
lattice is constructed of isolated [Tc(CO)(3)Br(.)en] molecules with t
he facial configuration. The total energy and bond multiplicities are
calculated by the extended Huckel method for this complex, ifs chlorid
e analog, and their hypothetical meridional isomers.