Metal Complexes of Dicamba. II The Crystal Structure of catena-μ-p-[Diaquabis(3, 6-dichloro- 2-methoxybenzoato(0, 0')]-calcium(n)

The crystal structure of a calcium complex of the herbicide dicamba (3, 6-dichloro-2-methoxybenzoic acid) has been determined by single-crystal X-ray diffraction and refined by least squares to a final residual of 0-045. [Ca(dicamba)(H0)]n is orthorhombic, space group Pbcn, Z 4, with a cell a 15-844(3), b 16-833(2), c 7-751(1) Å. The MOs coordination polyhedron about the calcium ion is a distorted Archimedes antiprism which has twofold rotational symmetry. There are two waters [Ca-O, 2-414(3) Å] and six carboxylate oxygens from two bidentate chelate groups [Ca-O, 2•516, 2•517(3) Å] and two bridging carboxyls [2•372(3) Å], This results in an infinite linear polymer structure