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二-μ-碘代-双-{[(R)-(+)-2,2'-双-(二苯基膦基)-1,1'-联萘-κ(2)P,P']铜(I)} 0.67水合物

Di-μ-iodido-bis-{[(R)-(+)-2,2'-bis-(di-phenyl-phosphan-yl)-1,1'-binaphthyl-κ(2)P,P']copper(I)} 0.67-hydrate.

作者信息

Volz Daniel, Nieger Martin, Bräse Stefan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):m466-7. doi: 10.1107/S1600536812011051. Epub 2012 Mar 24.

Abstract

The structure of the title compound, [Cu(2)I(2)(C(44)H(32)P(2))(2)]·0.67H(2)O, has been determined because of its inter-esting catalytic and optical features. The mol-ecule, which has non-crystallographic C2-symmetry, consists of a core structure of two Cu(I) ions, bridged by two iodide ions. Each Cu(I) ion is also coordinated by one equivalent of the chiral bidentate (R)-BINAP ligand [BINAP = 2,2'-bis-(diphenyl-phosphan-yl)-1,1'-binaphth-yl]. Thus, both cations show a distorted tetra-hedral geometry being surrounded by two I atoms and two P atoms from the (R)-BINAP ligands. The complex consists of isolated butterfly-shaped mol-ecules featuring an angle of 146.11 (2)° between adjacent CuI(2) planes. The structure displays intra-molecular C-H⋯I hydrogen bonding and contains disordered water. The absolute configuration of this chiral complex was determined by anomalous dispersion effects.

摘要

由于其有趣的催化和光学特性,已确定了标题化合物[Cu₂I₂(C₄₄H₃₂P₂)₂]·0.67H₂O的结构。该分子具有非晶体学C₂对称性,由两个Cu(I)离子的核心结构组成,两个碘离子将其桥连。每个Cu(I)离子还与一当量的手性双齿(R)-联萘膦配体[联萘膦 = 2,2'-双(二苯基膦基)-1,1'-联萘基]配位。因此,两个阳离子均呈现扭曲的四面体几何构型,被来自(R)-联萘膦配体的两个I原子和两个P原子包围。该配合物由孤立的蝴蝶形分子组成,相邻CuI₂平面之间的夹角为146.11 (2)°。该结构显示出分子内C-H⋯I氢键,并含有无序水。通过反常色散效应确定了这种手性配合物的绝对构型。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/02a6/3343858/ed1c7c9582d3/e-68-0m466-fig1.jpg

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