Poly[[dodecaaquabis(μ3-pyridine-2,6-dicarboxylato)tetrakis(μ2-pyridine-2,6-dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate

Fengjuan Shi,Jiguang Deng,Hongxing Dai

doi:10.1107/s1600536812018028

Abstract

In the title compound, {[Ca3Eu2(C7H3NO4)6(H2O)12]·10.5H2O}n, the EuIII ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxylate (PDA) ligands, forming a [Eu(PDA)3]3− building block. The Ca2+ ions adopt two types of coordination geometries. One Ca2+ ion, lying on a twofold rotation axis, is eight-coordinated by four carboxylate O atoms from four PDA ligands and four water molecules, and the other two Ca2+ ions, each lying on an inversion center, are six-coordinated by two carboxylate O atoms from two PDA ligands and four water molecules. The carboxylate groups bridge the EuIII and Ca2+ ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water molecules are located. Two of the lattice water molecules are disordered over two sets of sites with equal occupancy and one water molecule is 0.25-occupied. Numerous O—H⋯O hydrogen bonds involving the water molecules and carboxylate O atoms are present.

Highlights

Laboratory of Catalysis Chemistry and Nanoscience, Department of Chemistry and Chemical Engineering, College of Environmental and Energy Engineering, Beijing
In the title compound, {[Ca3Eu2(C7H3NO4)6(H2O)12]10.5H2O}n, the EuIII ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxylate (PDA) ligands, forming a [Eu(PDA)3]3 building block
One Ca2+ ion, lying on a twofold rotation axis, is eight-coordinated by four carboxylate O atoms from four PDA ligands and four water molecules, and the other two Ca2+ ions, each lying on an inversion center, are sixcoordinated by two carboxylate O atoms from two PDA

Summary

Structure Reports

Poly[[dodecaaquabis(l3-pyridine-2,6dicarboxylato)tetrakis(l2-pyridine-2,6dicarboxylato)tricalciumdieuropium(III)] 10.5-hydrate] Laboratory of Catalysis Chemistry and Nanoscience, Department of Chemistry and Chemical Engineering, College of Environmental and Energy Engineering, Beijing Key indicators: single-crystal X-ray study; T = 113 K; mean (C–C) = 0.008 Å; Hatom completeness 86%; disorder in solvent or counterion; R factor = 0.042; wR factor = 0.094; data-to-parameter ratio = 11.3.

Crystal data

Related literature

Multilayer monochromator

Special details