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四-μ3-碘代-四-[(三正丁基膦-κP)铜(I)]。

Tetra-μ3-iodido-tetra-kis-[(tri-n-butyl-phosphane-κP)copper(I)].

作者信息

Klenk Simon, Frey Wolfgang, Bubrin Martina, Laschat Sabine

机构信息

Institut für Organische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.

Institut für Anorganische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Mar 5;70(Pt 4):m117-8. doi: 10.1107/S1600536814003390. eCollection 2014 Apr 1.

Abstract

The title complex, [Cu4I4(C12H27P)4], crystallizes with six mol-ecules in the unit cell and with three independent one-third mol-ecule fragments, completed by application of the relevant symmetry operators, in the asymmetric unit. The tetranuclear copper core shows a tetrahedral geometry (site symmetry 3..). The I atoms also form a tetra-hedron, with I⋯I distances of 4.471 (1) Å. Both tetra-hedra show an orientation similar to that of a pair of self-dual platonic bodies. The edges of the I-tetra-hedral structure are capped to the face centers of the Cu-tetra-hedron and vice versa. The Cuface⋯I distances are 2.18 Å (averaged) and the Iface⋯Cu distances are 0.78 Å (averaged). As a geometric consequence of these properties there are eight distorted trigonal-bipyramidal polyhedra evident, wherein each trigonal face builds up the equatorial site and the opposite Cu⋯I positions form the axial site. As expected, the n-butyl moieties are highly flexible, resulting in large elongations of their anisotropic displacement parameters. Some C atoms of the n-butyl groups were needed to fix alternative discrete disordered positions.

摘要

标题配合物[Cu4I4(C12H27P)4]在晶胞中含有六个分子,在不对称单元中有三个独立的三分之一分子片段,通过应用相关对称算符使其完整。四核铜核呈现四面体几何构型(点群对称性3..)。碘原子也形成一个四面体,I⋯I距离为4.471 (1) Å。两个四面体的取向类似于一对自对偶的柏拉图体。碘四面体结构的棱边连接到铜四面体的面心,反之亦然。铜面⋯碘距离为2.18 Å(平均值),碘面⋯铜距离为0.78 Å(平均值)。由于这些性质的几何结果,明显存在八个扭曲的三角双锥多面体,其中每个三角面构成赤道位置,相对的铜⋯碘位置形成轴向位置。正如预期的那样,正丁基部分具有高度的灵活性,导致其各向异性位移参数有很大的伸长。需要正丁基的一些碳原子来确定替代的离散无序位置。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8fd8/3998569/7ba62585a43b/e-70-0m117-fig1.jpg

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