首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >μ-Aqua-bis­(μ-4-methyl­benzoato-κ2 O:O′)bis­[(4-methyl­benzoato-κO)(1,10-phenanthroline-κ2 N,N′)iron(II)]
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μ-Aqua-bis­(μ-4-methyl­benzoato-κ2 O:O′)bis­[(4-methyl­benzoato-κO)(1,10-phenanthroline-κ2 N,N′)iron(II)]

机译:μ-Aqua-bis(μ-4-甲基苯并-κ2 O:O')bis [(4-methylbenzoatoato-κO)(1,10-菲咯啉-κ2 N,N')铁(II)]

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摘要

In the title binuclear complex, [Fe2(C8H7O2)4(C12H8N2)2(H2O)], the FeII ion is six-coordinated by three carboxylate O atoms from three 4-methyl­benzoate ligands, two N atoms from two 1,10-phenanthroline ligands and one bridging aqua ligand in a distorted octa­hedral geometry. The coordinated water mol­ecule acting as the bridging ligand is located on a twofold axes and the complex mol­ecule displays C 2 mol­ecular symmetry. The Fe⋯Fe separation in the binuclear complex is 3.490 (3) Å. The crystal structure is stabilized by hydrogen bonding and π–π stacking inter­actions [the centroid–centroid distance between adjacent 1,10-phenanthroline ring systems is 3.653 (2) Å, and that between the 1,10-phenanthroline ring system and the phenyl ring of the 4-methyl­benzoate unit of a neighbouring complex is 3.622 (3) Å].
机译:在标题双核络合物[Fe2(C8H7O2)4(C12H8N2)2(H2O)]中,Fe II 离子与来自三个4-甲基苯甲酸酯配体的三个羧基O原子六配位,两个N来自两个1,10-菲咯啉配体和一个桥接水族配体的原子呈扭曲的八面体几何形状。充当桥联配体的配位水分子位于两个轴上,并且复杂分子显示C 2分子对称性。双核络合物中Fe⋯Fe的分离度为3.490(3)Å。晶体结构通过氢键和π-π堆积相互作用而稳定[相邻的1,10-菲咯啉环系统之间的质心-质心距离为3.653(2)Å,而1,10-菲咯啉环系统与苯基之间的质心-质心距离为相邻配合物的4-甲基苯甲酸酯单元的环为3.622(3)]。

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