Synthesis, structure and second harmonic effect of bis(rectangle(2)-3,5-dinitrobenzoato-O,O ')zinc(II) and tetraaquabis(3,5-dinitrobenzoato-O)cobalt(II) tetrahydrate

The crystal structures of [Zn(dnb)(2)](n) and [Co(dnb)(2)(H2O)(4)] 4H(2)O ( dnb = 3,5-dinitrobenzoate) have been determined based on single-crystal X-r ay diffraction data. [Zn(dnb)(2)](n) crystallizes in the trigonal space gro up P3(1)21, a 11.042(4), b 11.042(4), c 11.498( 5) Angstrom, Z 3, R-1 0.023 0, wR(2) 0.0554. The zinc complex features infinite chiral chains in the so lid, in which each pair of adjacent tetrahedrally coordinated zinc atoms ar e bridged by two dnb ligands, exhibiting powder second harmonic generation efficiency 0.34 times that of urea. [Co(dnb)(2)(H2O)(4)] 4H(2)O crystallize s in the triclinic space group P1, a 7.169(6), b 11.672(7), c 14.951(7) Ang strom, alpha 102.940(10), beta 98.36(10), gamma 92.390(10)degrees, Z 2, R-1 = 0.0417, wR(2) 0.0966. The cobalt complex exists as mononuclear molecules in the lattice, in which the cobalt atom is coordinated by two monodentate dnb ligands and four aqua ligands in an octahedral arrangement.