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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Crystallochemical formula as a tool for describing metal_ligand complexes _ a pyridine-2,б-dicarb-oxylate example
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Crystallochemical formula as a tool for describing metal_ligand complexes _ a pyridine-2,б-dicarb-oxylate example

机译：晶体化学分子式作为描述金属配位体配合物的工具_吡啶-2，б-二氨基甲酸酯-氧化物实例

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摘要

Compounds (299) containing 494 symmetrically independent pyridine-2,6-dicarboxylate moieties have been investigated.Among them the structures of Na_3[Nd(Руdс)_3]_14Н_2O_ and Na_3[Er(Руdc)_3]_11.5Н_2O_, where Н_2Pydc is pyridine-2,б-dicarboxylic acid, were determined by single-crystal X-ray diffraction, while the others were taken from the Cambridge Structural Database. The characteristics of any complex by means of the `method of crystallochemical analysis' are described, and the coordination types of all the Pydc ions and crystallochemical formulae of all the compounds were determined. Although the ion can act as a mono-, bi-, tri-,tetra- and pentadentate ligand, 96% of Pydc ions are coordinated to the central A atom in the tridentate-chelating mode. The dependence of the denticity and geometry of pyridine-2,6-dicarboxylate, as well as of the composition of Pydc-containing complexes, was studied as a function of the nature of the A atom, the molar ratio Pydc:A and the presence of neutral or acidic ligands in the reaction mixture.
机译：研究了含有494个对称独立的吡啶2,6-二羧酸酯部分的化合物（299）.Na_3 [Nd（Руdс）_3]_14Н_2O_和Na_3 [Er（Руdc）_3]_11.5Н_2O_的结构，其中_2_2Pydc为通过单晶X射线衍射测定吡啶2，β-二羧酸，而其他的则来自剑桥结构数据库。通过“结晶化学分析方法”描述了任何络合物的特性，并确定了所有Pydc离子的配位类型和所有化合物的结晶化学式。尽管离子可以充当单齿，双齿，三齿，四齿和五齿配体，但96％的Pydc离子在三齿螯合模式下与中心A原子配位。研究了2,6-二羧酸吡啶的密度和几何形状以及含Pydc的配合物的组成与A原子的性质，Pydc：A的摩尔比和存在的关系反应混合物中的中性或酸性配体。

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