The Structures of Bis(O-Benzylxanthato)Nickel(II) and the Benzene Clathrate of Its 1,10-Phenanthroline Adduct

Abstract

The crystal and molecular structures of bis (O- benzylxanthato )nickel(II), Ni( bzxa )2, and the benzene clathrate of its 1,10-phenanthroline adduct, Ni( bzxa )2( phen ).C6H6, are reported. Crystals of Ni( bzxa )2 are orthorhombic, with the space group P bca. There are four molecules per unit cell, which has dimensions a 6.961(1), b 35.008(8), c 7.277(2)Ǻ. The refinement converged with R 0.031 and Rw 0.037 after use of 1732 independent reflections for which I ≥ 2σ(I). Asymmetry of the nickel-sulfur bonds is observed. The adduct crystallizes in the space group C2/c. There are four molecules each of the adduct and benzene per unit cell, which has dimensions a 7.133(3), b 18.196(5), c 24.282(5)Ǻ, β 97.01(2)°. The refinement converged with R 0.064 and Rw 0.052 after use of 1123 independent reflections for which I ≥ 2σ(I). The packing clearly indicates that this host-guest compound is of the clathrate type.