Crystallochemical formula as a tool for describing metal-ligand complexes - a pyridine-2,6-dicarboxylate example.
Crystallochemical formula as a tool for describing metal-ligand complexes - a pyridine-2,6-dicarboxylate example.
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晶体化学式作为描述金属配体配合物的工具 - 吡啶-2,6-二羧酸盐示例。
DOI：
10.1107/s0108768108038846
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
M. Antipin
中科院分区：
文献类型：
--
作者：
V. N. Serezhkin;A. Vologzhanina;L. B. Serezhkina;E. Smirnova;E. Grachova;Polina V Ostrova;M. Antipin
研究了含有494个对称独立的吡啶-2，6-二羧酸根的化合物(299)。其中Na(3)[Nd(PYDc)(3)].14H(2)O和Na(3)[Er(PYDc)(3)].11.5H(2)O的结构由单晶X-射线衍射法确定，其中H(2)PYDc为吡啶-2，6-二元酸，其余均取自剑桥结构数据库。用晶体化学分析方法描述了任何一种配合物的性质，确定了所有PYDc离子的配位类型和所有化合物的晶体化学式。虽然该离子可以作为单、双、三、四和五齿配体，但96%的PYDc离子以三齿配位方式与中心A原子配位。研究了吡啶-2，6-二羧酸盐的密度、几何构型以及含吡啶-2，6-二羧酸酯的络合物的组成与A原子性质、PYDC：A摩尔比以及反应混合物中中性或酸性配体的存在的函数关系。
Compounds (299) containing 494 symmetrically independent pyridine-2,6-dicarboxylate moieties have been investigated. Among them the structures of Na(3)[Nd(Pydc)(3)].14H(2)O and Na(3)[Er(Pydc)(3)].11.5H(2)O, where H(2)Pydc is pyridine-2,6-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.