Kristallstruktur von [Co(C18H18N4S2)(OH2)(ONO2)](NO3) · H2O

Abstract

Abstract [Co(bbdh)(OH2)(ONO2)](NO3) · H2O was obtained from Co(NO3)2 · 6H2O and bbdh {bbdh = l,6-bis(benzimidazol-2-yl)-2,5-dithiahexane) in ethanol. It crystallizes in the monoclinic space group P21/n with a = 1 335.2(7), b = 1 666.2(5), c = 1068.7(3) pm, β = 105.65(4)°, Z = 4. The structure was refined by a full-matrix least-squares procedure to final R = 0.031 for 3591 independent reflections with I > 3σ(I). The Co2+ ion is octahedrally coordinated by the bbdh ligand, one oxygen atom of a nitrate group and one oxygen atom of a water molecule, the two nitrogen atoms of bbdh being in trans and the two sulfur atoms in cis arrangement. The Co – S distances are 250.59(8) and 252.68(8) pm, d(Co – N) = 208.6(2) and 209.8(3) pm. The distance to the oxygen atom of the coordinated nitrate ion is 209.5(2) and to the water molecule 204.2(2) pm. The non-coordinating nitrate ion is connected to the water ligand by a hydrogen-bond and the non-coordinating water molecule is hydrogen-bonded to the pyrrolic nitrogen atom of a benzimidazole group.