首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo45-f110phenanthroline and doubly deprotonated benzene-135-tri­carb­oxy­lic acid
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Crystal structure of a binuclear nickel(II) complex constructed of 1H-imidazo45-f110phenanthroline and doubly deprotonated benzene-135-tri­carb­oxy­lic acid

机译:1H-咪唑并45-f 110菲咯啉和双去质子化苯-135-三­碳­氧基水杨酸构成的双核镍(II)配合物的晶体结构

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摘要

The title complex, [Ni2(C9H4O6)2(C13H8N4)2(H2O)4]·2H2O, bis­(μ-5-carb­oxy­benzene-1,3-di­carboxyl­ato-κ2 O 1:O 1′)bis­[di­aqua(1H-imidazo[4,5-f][1,10]phenanthroline-κ2 N 7,N 8)nickel(II)] di­hydrate, was obtained under solvothermal conditions by the reaction of benzene-1,3,5-tricarboxylic acid (H3BTC) with Ni(NO3)2 in the presence of 1H-imidazo[4,5-f][1,10]phenanthroline (IP). The crystal has triclinic (P-1) symmetry with a centrosymmetric binuclear nickel(II) cluster. The NiII atom is coordinated by two N atoms from a chelating 1H-imidazo[4,5-f][1,10]phenanthroline ligand, two carboxyl­ate O atoms from two 5-carb­oxy­benzene-1,3-di­carboxyl­ate ligands and two water mol­ecules in a slightly distorted octa­hedral geometry. Two carboxyl­ate groups bridge two NiII cations, forming the binuclear complex. Extensive N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonding is present in the crystal structure, forming a three-dimensional supermolecular framework. Weak π–π stacking is observed between parallel HBTC2− and IP ring systems, the face-to-face separation being 3.695 (2) Å.
机译:标题配合物[Ni2(C9H4O6)2(C13H8N4)2(H2O)4]·2H2O,双(μ-5-羧基苯-1,3-二羧基-κ 2 O 1 :O 1')bis [diaqua(1H-咪唑[4,5-f] [1,10]菲咯啉-κ 2 N 通过苯-1,3,5-三羧酸(H3BTC)与Ni(NO3)的反应在溶剂热条件下获得7 ,N 8 )镍(II)]二水合物2在1H-咪唑并[4,5-f] [1,10]菲咯啉(IP)的存在下。晶体具有三斜(P-1)对称性和中心对称的双核镍(II)簇。 Ni II 原子由螯合的1H-咪唑并[4,5-f] [1,10]菲咯啉配体中的两个N原子,两个5-羧基苯-1中的两个羧基O原子配位, 3-二羧酸盐配体和两个水分子呈略微扭曲的八面体几何形状。两个羧酸根基团桥接两个Ni II 阳离子,形成双核络合物。晶体结构中存在广泛的N-H⋯O,OH-H⋯O和O-H⋯N氢键,形成三维超分子骨架。在并行HBTC 2-与IP环系统之间观察到了较弱的π–π堆积,面对面的间距为3.695 3.(2)Å。

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