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Polyhedral structures with an odd number of vertices: Nine-coordinate metal compounds

机译:顶点数为奇数的多面体结构:九配位金属化合物

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The stereochemistry of nine-coordinate transition-metal and rare-earth compounds has been studied by means of continuous shape measures (CShM) and related tools. Several reference nine-vertex polyhedra have been defined and their minimal distortion interconversion paths established. A theoretical shape map is presented in which the structures can be placed according to their distances in CShM space to the capped square antiprism and the tricapped trigonal prism, which are the most common polyhedra in nine-coordinate compounds. The structures of almost 2000 metal coordination spheres in molecular and extended solid-state compounds have been analyzed. Clear stereochemical trends can be established for subsets of these compounds grouped according to the nature of their ligands, which include families of compounds spread along the interconversion paths between the capped square antiprism and the capped cube, or between the tricapped trigonal prism and the tridiminished icosahedron.
机译:已通过连续形状测量(CShM)和相关工具研究了九坐标过渡金属和稀土化合物的立体化学。已经定义了几个参考九顶点多面体,并建立了它们的最小失真互转换路径。给出了理论形状图,其中可以根据结构在CShM空间中到九角化合物中最常见的多面体的加盖方形反棱镜和三棱三角棱镜的距离来放置结构。分析了分子和扩展固态化合物中近2000个金属配位球的结构。可以根据配体的性质对这些化合物的子集建立明确的立体化学趋势,其中包括沿着加盖正方形反棱镜与加盖立方之间,或三边形三棱柱与三面体二十面体之间的互变路径传播的化合物族。

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