首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of polydi-μ3-acetato-tetra­aqua­bis­(μ2-cyclo­hexane-14-di­carboxyl­ato)dilanth­an­um(III) dihydrate
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Crystal structure of polydi-μ3-acetato-tetra­aqua­bis­(μ2-cyclo­hexane-14-di­carboxyl­ato)dilanth­an­um(III) dihydrate

机译:聚di-μ3-乙酰基-四水合双­(μ2-环己烷-14-二­羧基­合)二镧(III)二水合物的晶体结构

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摘要

The title compound, {[La2(CH3COO)2(C8H10O4)2(H2O)4]·2H2O}n or [La2(ac)2(e,a-cis-1,4-chdc)2(H2O)4]·2H2O, where ac is acetate and 1,4-chdc is cyclo­hexane-1,4-di­carboxyl­ate anion, is a binuclear lanthanum(III) complex. Each metal atom is deca­coordinated by four O atoms from two distinct 1,4-chdc2− ligands, four O atoms from three acetate groups and two O atoms from coordinated water mol­ecules to form a distorted bicapped square-anti­prismatic geometry. Two non-coordinated water mol­ecules are also present in the formula unit. The most remarkable feature of this compound is that it possesses a only cis conformation for cyclo­hexane-1,4-di­carb­oxy­lic acid, although the raw material consists of a mixture of cis and trans isomers. The μ322 coordination mode of the bridging acetate group and the flexible di­carboxyl­ate fragments of 1,4-chdc2− results in the formation of infinite two-dimensional lanthanide–carboxyl­ate layers within the crystal structure. The directionality of strong inter­molecular O—H⋯O and weak C—H⋯O inter­actions provides robustness to the layers, which leads to the construction of a three-dimensional supra­molecular network. The crystal studied was refined as a two-component twin.
机译:标题化合物,{[La2(CH3COO)2(C8H10O4)2(H2O)4]·2H2O} n或[La2(ac)2(e,a-cis-1,4-chdc)2(H2O)4] ·2H 2 O是双核镧(III)络合物,其中ac为乙酸根,1,4-chdc为环己烷-1,4-二羧酸根阴离子。每个金属原子都由两个不同的1,4-chdc 2-配体中的四个O原子分解配位,三个乙酸酯基团中的四个O原子和配位水分子中的两个O原子解配,形成扭曲的二位方反棱柱几何。公式单元中还存在两个非配位的水分子。该化合物的最显着特征是,尽管原料由顺式和反式异构体的混合物组成,但它对环­己烷-1,4-二­碳­氧基水杨酸只有一个顺式构象。桥联乙酸酯基和1,4-chdc 3 2 :η 2 配位模式> 2-导致在晶体结构内形成无限的二维镧系元素羧酸盐层。强分子间OH-O和弱CHOH间的方向性为层提供了鲁棒性,这导致了三维超分子网络的构建。将研究的晶体精炼成两组分孪晶。

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