Collect. Czech. Chem. Commun. 1982, 47, 2633-2638

The crystal structure of tris(diallyldithiocarbamato) iron(III)

Jan Lokaja, Viktor Kettmannb, František Pavelčíkb, Viktor Vrábela and Ján Garaja

a Department of Analytical Chemistry, Faculty of Chemical Technology, Slovak Institute of Technology, 812 37 Bratislava
b Department of Analytical Chemistry, Faculty of Pharmacy, Comenius University, 880 34 Bratislava


The crystal and molecular structure of [Fe(S2CN(C3H5)2)3] was solved by X-ray structural analysis and refined by the least squares method to give R = 0.09 for 1 834 observed reflections. The compound crystallizes in the C2/c space group and the monoclinic unit cell has dimensions of a = 18.709(6), b = 10.217(3), c = 15.546(6) . 10-10 m, β = 106.03(3)°. The experimentally observed density is 1.35 Mg m-3 and the calculated value for Z = 4 is 1.33 Mg m-3. In the structure the iron atom occupies a special position on the two-fold axis and is coordinated by six sulfur atoms in a trigonally deformed octahedron: Fe-S1 2.340(6), Fe-S2 2.367(7), Fe-S3 2.323(6) . 10-10 m. The S2CNC2 ligands are approximately planar.