Hydro(solvo)thermal construction of a copper coordination polymer involving in situ ligand synthesis: Preparation and Structure of [Cu-3(bdcO)(2)(H2O)(2)](n)

Abstract

A hydro(solvo)thermal reaction of 1,3-benzenedicarboxylic acid (bdcH(2)) and CuSO4.5H(2)O produced a coordination polymer [Cu-3(bdcO)(2)(H2O)(2)](n) 1. The alkoxyl-1,3-benzene-dicarboxylate trianion (bdcO(3-)) found in the final product was in situ generated by the hydroxylation of bdcH(2) during the synthesis. Its crystal structure has been determined by X-ray structural analysis. The complex belongs to a monoclinic system, space group P2(1)/c with C16H10Cu3O12, M-r = 584.86, a = 5.0349(3), b = 10.422(1), c = 15.639(1) angstrom, beta = 91.977(2)degrees, V = 820.1(1) angstrom(3), Z = 2, D-c= 2.368 g/cm(3), mu = 3.931 mm(-1), lambda(MoK alpha) = 0.71073 angstrom, F(OOO) = 578, the final R = 0.0328 and wR = 0.0742 for 1730 observed reflections with 1 >=,2 sigma(I). The copper atoms show different coordination environments. Each bdcO group is binds to three copper atoms through oxygen atoms of carboxylates and deprononated hydroxy group in bridging and chelating fashions, affording a copper atom coordinated by two [Cu-2(bdcO)(2)](2-), matallo-ligand' to yield an extending zigzagged layer perpendicular to the c axis.