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Structure of bis(di-n-butyldithiocarbamato)nickel(II)

J. Lokaj, V. Vrábel, and E. Kellő

Department of Microanalysis, Slovak Technical University, CS-812 37Bratislava


Abstract: Crystal and molecular structure of bis(di-n-butyldithiocarbamato)nickel(II), Ni[S2CN(C4H9)2]2 has been determined by single-crystal X-ray diffraction methods and refined by diagonal-matrix least squares to a residual of 0.06 on 1080 "observed" reflections. Crystals are monoclinic with space group P21a, a = 1.6012(5) nm, b = 0.7887(3) nm, с = 1.0804(6) nm,  β = 118.48(3)°. The experimentally observed density is 1.27 g cm-3 and the calculated value of Z = 2 is 1.29 g cm-3. In the structure the Ni atom occupies a special position in the centre of symmetry and is coordinated by two pairs of S atoms from two ligands in a plane: Ni—S 0.2201(3) nm and 0.2211(3) nm, S(l)—Ni—S(2) angle being 79.40(1)°. Ligand S2CNC2 is essentially planar.

Full paper in Portable Document Format: 383a313.pdf


Chemical Papers 38 (3) 313–320 (1984)

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