Abstract
In the title complex, {[CaZn(C10H2O8)(H2O)2]·H2O}n, the ZnII ion is coordinated by four O atoms from four benzene-1,2,4,5-tetracarboxylate anions in a distorted tetrahedral geometry. The CaII ion is eight-coordinated by six O atoms from four benzene-1,2,4,5-tetracarboxylate anions and by two water molecules in a distorted square-antiprismatic geometry. The CaII and ZnII ions and the lattice water molecule are located on twofold rotation axes; the centroid of the benzene-1,2,4,5-tetracarboxylate anion is located on a centre of inversion. The μ8-bridging mode of the anion results in the formation of a three-dimensional structure with channels extending along [100] in which lattice water molecules are situated. Intermolecular O—H⋯O hydrogen bonds involving the coordinating and lattice water molecules as donors and the carboxylate O atoms and lattice water molecules as acceptors are present in the structure.
Highlights
ZnII ion is coordinated by four O atoms from four benzene1,2,4,5-tetracarboxylate anions in a distorted tetrahedral geometry
The CaII ion is eight-coordinated by six O atoms from four benzene-1,2,4,5-tetracarboxylate anions and by two water molecules in a distorted square-antiprismatic geometry
The CaII and ZnII ions and the lattice water molecule are located on twofold rotation axes; the centroid of the benzene1,2,4,5-tetracarboxylate anion is located on a centre of inversion
Summary
R factor = 0.027; wR factor = 0.099; data-to-parameter ratio = 13.7. ZnII ion is coordinated by four O atoms from four benzene1,2,4,5-tetracarboxylate anions in a distorted tetrahedral geometry. The CaII ion is eight-coordinated by six O atoms from four benzene-1,2,4,5-tetracarboxylate anions and by two water molecules in a distorted square-antiprismatic geometry. The CaII and ZnII ions and the lattice water molecule are located on twofold rotation axes; the centroid of the benzene1,2,4,5-tetracarboxylate anion is located on a centre of inversion. The 8-bridging mode of the anion results in the formation of a three-dimensional structure with channels extending along [100] in which lattice water molecules are situated. Intermolecular O—H O hydrogen bonds involving the coordinating and lattice water molecules as donors and the carboxylate O atoms and lattice water molecules as acceptors are present in the structure
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