首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of catena-polyhemi13-bis­(26-diisoprop­ylphenyl)imidazolium μ3-acetato-κ3O:O:O′-tri-μ2-acetato-κ6O:O′-dicopper(II)(Cu—Cu)-μ-chlorido di­chloro­methane sesqui­solvate
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Crystal structure of catena-polyhemi13-bis­(26-diisoprop­ylphenyl)imidazolium μ3-acetato-κ3O:O:O′-tri-μ2-acetato-κ6O:O′-dicopper(II)(Cu—Cu)-μ-chlorido di­chloro­methane sesqui­solvate

机译:多链半13-双(26-二异丙基苯基)咪唑鎓 3-乙酸盐-κ3的晶体结构O:O:O-tri-μ2-醋酸盐-κ6O:O-二铜(II)(Cu-Cu)-μ-氯化物二氯甲烷倍半溶剂化物

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摘要

The title copper(II) complex, {(C27H37N2)[Cu4(CH3COO)8Cl]·3CH2Cl2}n, is a one-dimensional coordination polymer. The asymmetric unit is composed of a copper(II) tetra­acetate paddle-wheel complex, a Cl anion situated on a twofold rotation axis, half a 1,3-bis­(2,6-diisoprop­ylphenyl)imidazolium cation (the whole mol­ecule being generated by twofold rotation symmetry) and one and a half of a di­chloro­methane solvent mol­ecule (one being located about a twofold rotation axis). The central metal-organic framework comprises of a tetra­nuclear copper(II) acetate ‘paddle-wheel’ complex which arises from the dimerization of the copper(II) tetra­acetate core comprising of three μ2-bidentate acetate and one μ3-tridentate acetate ligands per binuclear paddle-wheel complex. Both CuII atoms of the binuclear component adopt a distorted square-pyramidal coordination geometry (τ = 0.04), with a Cu⋯Cu separation of 2.6016 (2) Å. The apical coordination site of one CuII atom is occupied by an O atom of a neighbouring acetate bridge [Cu—O = 2.200 (2) Å], while that of the second CuII atom is occupied by a bridging chloride ligand [Cu⋯Cl = 2.4364 (4) Å]. The chloride bridge is slightly bent with respect to the Cu⋯Cu inter­nuclear axis [Cu—Cl—Cu = 167.06 (6)°] and the tetra­nuclear units are located about a twofold rotation axis, forming the one-dimensional polymer that propagates along [101]. Charge neutrality is maintained by the inclusion of the 1,3-bis­(2,6-diisoprop­ylphenyl)imidazolium cation within the crystal lattice. In the crystal, the cation and di­chloro­methane solvent mol­ecules are linked to the coordin­ation polymer by various C—H⋯O and C—H⋯Cl hydrogen bonds. There are no other significant inter­molecular inter­actions present.
机译:标题铜(II)配合物{(C27H37N2)[Cu4(CH3COO)8Cl]·3CH2Cl2} n是一维配位聚合物。不对称单元由四乙酸铜(II)桨轮配合物,位于两倍旋转轴上的Cl -阴离子,1,3-双(2,6-二异丙基苯基)咪唑鎓的一半组成阳离子(整个分子是由双重旋转对称性产生的)和一半一半的二氯甲烷溶剂分子(一个围绕着双重旋转轴定位)。中心金属-有机骨架由四核乙酸铜(桨)络合物组成,该复合物由四乙酸铜(II)核的二聚作用产生,每个双核包含三个μ2-双乙酸盐和一个μ3-三齿乙酸盐配体。桨轮复合体。双核组分的两个Cu II 原子均具有扭曲的方金字塔形配位几何形状(τ= 0.04),Cu⋯Cu间距为2.6016(2)Å。一个Cu II 原子的顶配位位点被相邻的乙酸盐桥[Cu-O = 2.200(2)Å]的O原子占据,而第二个Cu II <原子被桥连的氯化物配体[Cu⋯Cl = 2.4364(4)Å]占据。氯化物桥相对于Cu⋯Cu核间轴[Cu-Cl-Cu = 167.06(6)°]略微弯曲,四核单元围绕一个两倍的旋转轴定位,形成了沿[x]传播的一维聚合物。 101]。通过在晶格内包含1,3-双­(2,6-二异丙基苯基)咪唑鎓阳离子来保持电荷中性。在晶体中,阳离子和二氯甲烷溶剂分子通过各种CHOH和CHHCl氢键与配位聚合物相连。没有其他明显的分子间相互作用。

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