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晶体结构中菲咯啉配体间堆积相互作用的几何形状。

Geometries of stacking interactions between phenanthroline ligands in crystal structures of square-planar metal complexes.

机构信息

ICTM, University of Belgrade, Njegoševa 12, 11000 Belgrade, Serbia.

出版信息

J Mol Model. 2011 Aug;17(8):2083-92. doi: 10.1007/s00894-010-0905-3. Epub 2010 Dec 16.

Abstract

Stacking interactions of phenanthroline square-planar complexes in crystal structures were studied by analyzing data from the Cambridge Structural Database. In most of the crystal structures, two phenanthroline complexes were oriented "head to tail." Phenanthroline complexes show a wide range of overlap geometries in stacking interactions, while short metal-metal distances were not observed. Stacking chains with alternating overlaps were the predominant type of packing in the crystal structures.

摘要

通过分析剑桥结构数据库中的数据,研究了菲咯啉平面四方配合物在晶体结构中的堆积相互作用。在大多数晶体结构中,两个菲咯啉配合物呈“头对头”取向。菲咯啉配合物在堆积相互作用中表现出广泛的重叠几何形状,而没有观察到短的金属-金属距离。具有交替重叠的堆积链是晶体结构中主要的堆积类型。

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