首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Polydodeca­aqua­bis­(μ3-pyridine-26-dicarboxyl­ato)tetra­kis­(μ2-pyridine-26-dicarboxyl­ato)tri­calciumdieuropium(III) 10.5-hydrate
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Polydodeca­aqua­bis­(μ3-pyridine-26-dicarboxyl­ato)tetra­kis­(μ2-pyridine-26-dicarboxyl­ato)tri­calciumdieuropium(III) 10.5-hydrate

机译:聚十二烷基双(μ3-吡啶-26-二羧基di)四(μ2-吡啶-26-二羧基­)三钙二铀(III) 10.5-水合物

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摘要

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.
机译:在标题化合物{[Ca3Eu2(C7H3NO4)6(H2O)12]·10.5H2O} n中,Eu III 离子由三个三齿吡啶-2,6-二羧酸酯(PDA)进行九配位。 )配体,形成[Eu(PDA)3] 3-结构单元。 Ca 2 + 离子具有两种配位几何形状。一个位于双向旋转轴上的Ca 2 + 离子与来自四个PDA配体和四个水分子的四个羧酸O原子八配位,另外两个Ca 2 + III 和Ca 2 + 离子桥接到三维多孔框架中,通道沿[010]和[001]延伸,其中晶格水分子位于。两个晶格水分子在两组具有相同占有率的位点上紊乱,一个水分子被0.25占据。存在许多涉及水分子和羧酸根O原子的OH氢键。

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