Synthesis, structure and physical properties of a new charge transfer complex (BEDT-TTF)4•H2O•Fe(C2O3)3•C6H5NO2

A new charge transfer complex of bis(ethylenedithio)tetrathiafulvalene, (BEDT-TTF)(4) . H2O . Fe(C2O3)(3) . C6H5NO2, were prepared, and its crystal structure and physical properties were determined. The crystal structure of the complex has been refined in the C2/c space group, the unit cell parameters: a = 1.031 (8) nm, b = 2.014 (8) nm, c = 3.534 (4) nm, beta = 92.21 (9)degrees, Z = 4, R = 0.065, Successive layers of BEDT-TTF and layers of and approximately hexoganal geometry containing alternating H2O and Fe(C2O4)(3)(3-) were formed, with C6H5NO2 lying within the hexagonal cavities. The BEDT-TTF adopts the beta packing, the charge of BEDT-TTF estimated from the C = C and C-S bond lengths is +3/4, The complex is a semiconductor with sigma(r.t) = 10 S.cm(-1). The ESR spectra of the complex shows only one signal with the line width Delta H = 38.1 X 10(-4) T, which indicates that there may be some interaction between the conduction electrons and the 3d(5) electrons of Fe3+.