首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of bis­(1122-tetra­methyl­diphosphane-12-di­thione-κ2SS′)copper(I) tetra­fluorido­borate
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Crystal structure of bis­(1122-tetra­methyl­diphosphane-12-di­thione-κ2SS′)copper(I) tetra­fluorido­borate

机译:双­(1122-四­甲基­二膦-12-二­硫酮-κ2的晶体结构SS)四氟硼酸铜(I)

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摘要

In the title compound, [Cu(C4H12P2S2)2]BF4, both diphosphine di­sulfide mol­ecules bind to the CuI atom, as chelating ligands via the S atoms, forming a monovalent cation with a slightly distorted tetra­hedral coordination around the CuI atom. The average Cu—S distance is 2.350 (15) Å, with small but possibly significant differences within each chelate ring. Ligand P=S distances average 1.964 (3) Å, and the P—P distances are 2.2262 (13) and 2.2166 (14) Å. The ligand chelate rings are twisted in opposite directions, with one in the λ and one in the δ configuration. Although the anisotropic displacement parameters of the F atoms of the anion are quite large compared to that of the B atom, difference Fourier syntheses indicate only one set of sites for the F atoms. In the crystal, possible C—H⋯F hydrogen bonds may stabilize the orientation. The B—F distances, uncorrected for libration, average 1.359 (6) Å.
机译:在标题化合物[Cu(C4H12P2S2)2] BF4中,两个二膦二硫化物分子均通过S原子作为螯合配体与Cu I 原子结合,形成具有轻微扭曲的四面体配位的单价阳离子在Cu I 原子周围。 Cu-S的平均距离为2.350(15)Å,每个螯合环之间的差异很小,但可能会有明显差异。配体P = S距离平均为1.964(3)Å,PP距离为2.2262(13)和2.2166(14)Å。配体螯合环以相反的方向扭曲,一个在λ构型,另一个在δ构型。尽管与B原子相比,阴离子F原子的各向异性位移参数非常大,但差异傅立叶合成表明F原子仅具有一组位点。在晶体中,可能的CHF氢键可以稳定取向。未经校正的BF距离平均为1.359(6)Å。

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