Poly[[hexaaquabis(μ3-pyrimidine-4,6-dicarboxylato)dicalcium] dihydrate]

Abstract

The polymeric structure of the title compound, {[Ca2(C6H2N2O4)2(H2O)6]·2H2O}n, is built up of molecular layers composed of CaII ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent CaII ions are bridged by these O atoms, forming a centrosymmetric dimer which is the building unit of the structure. The dimers are nodes of a cross-linked molecular layer parallel to (101). The CaII ion is coordinated by two bidentate ligands, one monodentate ligand and three water molecules in the form of a distorted polyhedron with a coordination number of eight. Solvate water molecules located between adjacent layers participate as donors and acceptors in a system of hydrogen bonds in which coordinating water molecules also act as donors and non-coordinating carboxylate O atoms act as acceptors.