首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >trans-(577121414-Hexamethyl-14811-tetra­aza­cyclo­tetra­deca-411-diene-κ4 NN′N′′N′′′)bis­(nitrito-κN)cobalt(III) perchlorate hemihydrate
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trans-(577121414-Hexamethyl-14811-tetra­aza­cyclo­tetra­deca-411-diene-κ4 NN′N′′N′′′)bis­(nitrito-κN)cobalt(III) perchlorate hemihydrate

机译:反式-(577121414-六甲基-14811-四氮杂­环环十四­-411-二烯-κ4 NNNN)双­(腈-κN)高氯酸钴(III)半水合物

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摘要

The asymmetric unit of the title CoIII complex, [Co(NO2)2(C16H32N4)]ClO4·0.5H2O, comprises two complex cations, two perchlorate anions and a water mol­ecule of crystallization. The CoIII atoms exist within distorted octa­hedral N6 geometries defined by four N atoms of the macrocycle ligand and trans-N atoms derived from the nitrite anions. Systematic variations in the Co—N bond lengths are correlated with the presence of intra­molecular N—H⋯O(nitrite) hydrogen bonds. In the crystal, water-O—H⋯O(perchlorate) hydrogen bonds, involving one of the independent perchlorate anions only, lead to supra­molecular chains along the b-axis direction. The three-dimensional architecture is consolidated by numerous C—H⋯O inter­actions. The crystal studied was a non-merohedral, racemic twin.
机译:标题Co III 配合物的不对称单元[Co(NO2)2(C16H32N4)] ClO4·0.5H2O包含两个配合物阳离子,两个高氯酸根阴离子和一个结晶水分子。 Co III 原子存在于变形的八面体N6几何结构中,该几何结构由大环配体的四个N原子和源自亚硝酸根阴离子的反式N原子定义。 Co-N键长度的系统变化与分子内NH-O(亚硝酸盐)氢键的存在有关。在晶体中,水-OH-O(高氯酸根)氢键仅涉及一个独立的高氯酸根阴离子,导致沿b轴方向的超分子链。三维结构由众多C-H = O相互作用合并而成。所研究的晶体为非外延,外消旋孪晶。

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