Crystal structure and absolute configuration of cobalt-doped α-hexaaquazinc(II) selenate

Abstract

The title complex is isomorphous with α-[Ni(OH₂)₆][SO₄] with space group either P4₁2₁2 or P4₃2₁2, a= 6.953(4), c= 18.33(2)Å, and Z= 4. Intensity data have been collected by equi-inclination Weissenberg methods and the 433 independent reflections judged visually. The resulting structure has been solved by the heavy-atom method and refined by full-matrix least squares to a final R value of 0.107. Although doped to 38 mol % with Co^II, the structure shows no demonstrable difference from that expected for the pure complex. From the absolute configuration determined by the Bijvoet method, and circular-dichroism measurements made on the same crystal, it is found that space group P4₁2₁2 correlates with a negative rotational strength in the major ligand-field bands of [Co(OH₂)₆]²⁺.