首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of {FeCl3}2(μ-PCHP)2 PCHP = 13-bis­(2-di­phenyl­phosphanyleth­yl)-3H-imidazol-1-ium with an unknown solvent
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Crystal structure of {FeCl3}2(μ-PCHP)2 PCHP = 13-bis­(2-di­phenyl­phosphanyleth­yl)-3H-imidazol-1-ium with an unknown solvent

机译:{FeCl3} 2(μ-PCHP)2的晶体结构PCHP = 13-双­(2-二­苯基­磷酰基萘基)-3H-咪唑-1-鎓在未知溶剂中的存在

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摘要

The crystal structure of the title compound, bis­{μ-1,3-bis­[2-(di­phenyl­phosphan­yl)eth­yl]-1H-imidazole-κ2 P:P′}bis­[tri­chlorido­iron(III)], [Fe2Cl6(C31H31N2P2)2] or [{FeCl3}2(μ-PCHP)2] (PCHP = C31H31N2P2), consists of dinuclear complexes that are located about centres of inversion. The FeIII cation is in a distorted trigonal–bipyramidal coordination with three chloride ligands located in the trigonal plane and two P atoms of symmetry-related PCHP ligands occupying the axial positions. Within the centrosymmetric complex, a pair of intra­molecular C—H⋯Cl hydrogen bonds between aromatic CH groups and chloride ligands are found. Individual complexes are linked into layers parallel to (01) by inter­molecular C—H⋯Cl hydrogen bonds. No pronounced inter­molecular inter­actions occur between these layers. This arrangement leaves space for disordered solvent mol­ecules. Electron density associated with these additional solvent mol­ecules was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C>71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent mol­ecule(s).
机译:标题化合物bis {μ-1,3-bis[2-(二苯基膦基)乙基] -1H-咪唑-κ 2 P:P'}双[三氯碘铁(III)的晶体结构],[Fe2Cl6(C31H31N2P2)2]或[{FeCl3} 2(μ-PC H P)2](PC H P = C31H31N2P2),由双核络合物组成位于反转中心附近。 Fe III 阳离子呈扭曲的三角-双锥体配位态,其三个氯配体位于三角平面内,并且两个与对称相关的PC H P配体的P原子占据了轴向职位。在中心对称络合物中,发现了芳香族CH基团和氯化物配体之间的一对分子内C-H⋯Cl氢键。单个络合物通过分子间CH 3 Cl氢键连接成平行于(01)的层。在这些层之间没有明显的分子间相互作用。这种布置为无序的溶剂分子留出了空间。在PLATON中使用SQUEEZE程序除去了与这些其他溶剂分子相关的电子密度[Spek(2015)。 Acta Cryst。 C > 71 ,9-18]。给定的化学式和其他晶体数据未考虑未知的溶剂分子。

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