Abstract
The structure of bis[ N,N-di(trifluoroethyl)dithiocarbamato]nickel(II) has been determined by single- crystal X-ray diffraction methods. The compound forms strongly pleochroic monoclinic crystals in the space group P2 1/ n (no. 14, C 5 2b) with a=8.519(2), b=8.912(1), c=11.098(2) Å, β=103.18(2)° and Z=2. The final R value for 1002 reflections was 0.040. The nickel atom is chelated in a planar array by two symmetric bidentate N,N-di(trifluoroethyl)dithiocarbamate ligands, <Ni-S> 2.19 9 Å. The known volatility of the compound is explained by the fact that there are no strong intermolecular interactions. The temperature factor coefficients of the compound and its non-fluorinated analogue correlate with the known fragmentation patterns in the gas phase. The resonance form including a double bond CN is characterized both by IR and NMR spectra and the geometry around the nitrogen atom of the N,N-di(trifluoroethyl)dithiocarbamate ligand. The electronic properties of the chelate are dominated by the fluorine atoms, and to a minor extent by the electron-withdrawing capacity of the central atom.
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