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The crystal structure of bis(cyclopentamethylenedithiocarbamato) FeIIdicarbonyl, (Cpdtc)2Fe(CO)2 has been determined from three-dimensional x-ray data collected by Weissenberg techniques. The compound crystallizes in the space group D2h15-Pbca of the orthorhombic system with eight molecules in a cell of dimensions a = 9.67(2), b = 11.65(2), and c = 33.74(8) A; V = 3802.2 A3. The observed and calculated densities are 1.52(2) and 1.51 gm/cm−3. The molecules contain six-fold coordinated FeII in which the carbonyl groups are cis to each other and the polyhedron around the central atom is an octahedron distorted by the limited ligand «bite». The two dithiocarbamate ligands consists of nearly planar S2CNC2 fragments which make an angle of 88.8° to each other while the piperidine rings are in the chair conformation and contain normal CN and CC bonds. The FeS bonds occur in pairs (av. FeS lengths being 2.338(6) and 2.306(5) A, respectively and the longer pair is associated with sulfurs located trans to the carbonyl ligands. The FeCO fragments are essentially linear and the average value of the FeC, CO, and FeCO parameters are: 1.78(3) A, 1.12(3) A, and 177(1)°, respectively. |
