Crystal and molecular structure of tris-(O-isopropylxanthato)-chromium(III)

Article abstract of DOI:10.1007/BF01156079

The title compound has been synthesized by the reaction of CrCl3*6H2O with K in a 1:3 molar ratio in an aqueous medium.It has been characterized by elemental analysis and IR spectral studies.Crystals of Cr3 are monoclinic, space group P2₁/n with a = 10.002(2), b = 10.973(1), c = 18.961(6) Angstroem, β = 91.78(2) deg, V = 2079.9 Angstroem³, Z = 4, D_calc = 1.46 g cm^-3, monochromatic radiation (Mo-Kα), λ = 0.71069 Angstroem, μ = 11.2 cm^-1, F(0 0 0) = 948, T = 295 K, final R = 0.0320 for 2641 reflections.The environment of the chromium atom is based on an octahedral geometry having six sulfur donor atoms from three symmetrically chelated ligands with average distances: Cr-S = 2.396(9) Angstroem, C-S = 1.690(3) Angstroem and C-O = 1.315(3) Angstroem.The bond distance between oxygen atom and the carbon atom of the isopropyl group (O-C_av = 1.478(4) Angstroem) suggests that the form -S2^(-)C = O⁽⁺⁾CH(CH3)2 contributes significantly to the structure of the isopropyl group.