Crystal structure of [N,N-bis-(di-phenyl-phospho-ro-thio-yl)amidato-κ2S,S′]bis-(tri-phenyl-phosphane-κP)copper(I) di-chloro-methane monosolvate

Nishi T.; Tsukuda T.; Nishikawa M.; Tsubomura T.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of [N,N-bis-(di-phenyl-phospho-ro-thio-yl)amidato-κ2S,S′]bis-(tri-phenyl-phosphane-κP)copper(I) di-chloro-methane monosolvate

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Crystal structure of [N,N-bis-(di-phenyl-phospho-ro-thio-yl)amidato-κ2S,S′]bis-(tri-phenyl-phosphane-κP)copper(I) di-chloro-methane monosolvate

机译：[N，N-双-（二苯基-磷-硫代-硫基）酰胺基-κ2S，S']双-（三苯基膦-κP）铜（I）的晶体结构单溶剂

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The title compound, [Cu(C24H20NP2S2)(C18H15P)2]·CH2Cl2 or [Cu(dppaS2)(PPh3)2]·CH2Cl2, is a neutral mononuclear copper(I) complex bearing an N,N-bis-(di-phenyl-phospho-rothio-yl)amidate (dppaS2?) ligand and two tri-phenyl-phosphane ligands. The molecular structure shows that the two S atoms of the dppaS2? ligand [Cu—S = 2.3462?(9) and 2.3484?(9)??] and the two P atoms of the two tri-phenyl-phosphane ligands [Cu—P = 2.3167?(9) and 2.2969?(9)??] coordinate to the copper(I) atom, resulting in a tetra-hedral coordination geometry. The crystallographically observed mol-ecular structure is compared to the results of DFT calculations.

机译：标题化合物[Cu（C24H20NP2S2）（C18H15P）2]·CH2Cl2或[Cu（dppaS2）（PPh3）2]·CH2Cl2是带有N，N-双-（di-苯基-磷-硫代硫基）酰胺酸酯（dppaS2′）配体和两个三苯基膦配体。分子结构表明dppaS2？的两个S原子？配体[Cu-S = 2.3462？（9）和2.3484？（9）？]和两个三苯基膦配体的两个P原子[Cu-P = 2.3167？（9）和2.2969？（9） Δε]与铜（I）原子配位，形成四面体配位几何形状。将晶体学上观察到的分子结构与DFT计算的结果进行比较。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第8期|共3页
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Nishi T.; Tsukuda T.; Nishikawa M.; Tsubomura T.;
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Crystal structure of [N,N-bis-(di-phenyl-phospho-ro-thio-yl)amidato-κ2S,S′]bis-(tri-phenyl-phosphane-κP)copper(I) di-chloro-methane monosolvate

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