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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of tetra­kis­(μ3-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}phenolato)tetra­copper(II) ethanol monosolvate 2.5-hydrate
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Crystal structure of tetra­kis­(μ3-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}phenolato)tetra­copper(II) ethanol monosolvate 2.5-hydrate

机译：四（μ3-2-{[1,1-双（羟甲基）-2-氧化乙基]亚氨基甲基}苯酚基）四铜（II）乙醇单溶剂化物2.5水合物的晶体结构

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摘要

The title compound, [Cu4(C11H13NO4)4]·CH3CH2OH·2.5H2O, is an electronically neutral tetra­nuclear copper(II) complex with a cubane-like Cu4O4 core. The complete molecule has point group symmetry 2. The phenol hy­droxy group and one of the three alcohol hy­droxy groups of each 2-{[tris­(hy­droxy­meth­yl)meth­yl]imino­meth­yl}phenol ligand are depro­ton­ated, while the secondary amine and the other two hy­droxy groups remain unchanged. The CuII atoms in the Cu4O4 core are connected by four μ3-O atoms from the deprotonated alcohol hy­droxy groups. Each of the penta­coordinated CuII ions has an NO4 distorted square-pyramidal environment through coordination to the tridentate Schiff base ligands. The Cu—N/O bond lengths span the range 1.902 (4)–1.955 (4) Å, similar to values reported for related structures. There are O—H⋯O hydrogen-bond inter­actions between the complex molecules and the ethanol and water solvent molecules, leading to the formation of a three-dimensional network. The ethanol solvent molecule is disordered about a twofold rotation axis. One of the two independent water molecules is also located on this twofold rotation axis and shows half-occupancy.
机译：标题化合物[Cu4（C11H13NO4）4]·CH3CH2OH·2.5H2O是电子形式的中性四核铜（II）配合物，具有类似古巴的Cu4O4核。完整的分子具有点基对称性2。每个2-{[[三（羟甲基）甲基]亚氨基甲基}酚配体的酚羟基和三个醇羟基之一被去质子化，而仲胺和另外两个羟基被去质子化。保持不变。 Cu4O4核心中的CuII原子通过去质子化醇羟基中的四个μ3-O原子连接。通过与三齿席夫碱配体的配位，每个五配位的CuII离子都有一个NO4扭曲的方金字塔形环境。 Cu-N / O键的长度范围为1.902（4）–1.955（4）Å，类似于相关结构的报道值。复杂分子与乙醇和水溶剂分子之间存在OH-H⋯O氢键相互作用，从而导致三维网络的形成。乙醇溶剂分子绕双重旋转轴无序。两个独立的水分子之一也位于该双重旋转轴上，并显示出一半的占有率。

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