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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >A three-dimensional coordination polymer based on the Zn4(μ3-OH)2 unit: Poly[[(μ4-benzene-1,4-dicarboxylato)bis(μ3-benzene-1,4-dicarboxylato)bis(μ3-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]
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A three-dimensional coordination polymer based on the Zn4(μ3-OH)2 unit: Poly[[(μ4-benzene-1,4-dicarboxylato)bis(μ3-benzene-1,4-dicarboxylato)bis(μ3-hydroxido)bis(1,10-phenanthroline-5,6-dione)tetrazinc] dihydrate]

机译:基于Zn4(μ3-OH)2单元的三维配位聚合物:聚[[((μ4-苯-1,4-二羧酸基)双(μ3-苯-1,4-二羧酸基)双(μ3-羟基)双(1,10-菲咯啉-5,6-二酮)四锌]二水合物]

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摘要

The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n , has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene-1,4-dicarboxylic acid (H2bdc) and 1,10-phenanthroline-5,6-dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2 fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3-OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2- ligands are fully deprotonated and adopt μ3-κO:κO':κO'' and μ4-κO:κO':κO'':κO''' coordination modes, bridging three or four ZnII cations, respectively, from two Zn4(OH)2 units. The Zn4(OH)2 fragment connects six neighbouring tetranuclear units through four μ3-bdc2- and two μ4-bdc2- ligands, forming a three-dimensional framework with uninodal 6-connected α-Po topology, in which the tetranuclear Zn4(OH)2 units are considered as 6-connected nodes and the bdc2- ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2 unit and are connected to it through hydrogen-bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π-π interactions between the pdon and μ4-bdc2- ligands.
机译:标题化合物{[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2·2H2O} n是通过Zn(NO3)2·6H2O与苯-1,4-二羧酸( H2bdc)和1,10-菲咯啉-5,6-二酮(pdon)在H2O中。在晶体结构中,四核Zn4(OH)2片段位于晶体学反转中心,该中心涉及两个亚基,每个亚基均包含一个[ZnN2O4]八面体和一个通过μ3-OH基桥接的[ZnO4]四面体。 pdon配体通过其两个N原子与锌螯合,形成[ZnN2O4]八面体的一部分。两种晶体学上独立的bdc2-配体被完全去质子化,并采用μ3-κO:κO':κO''和μ4-κO:κO':κO'':κO'''配位模式,分别桥接三个或四个ZnII阳离子,由两个Zn4(OH)2单元组成。 Zn4(OH)2片段通过四个μ3-bdc2-和两个μ4-bdc2-配体连接六个相邻的四核单元,形成具有单链6连接α-Po拓扑的三维框架,其中四核Zn4(OH) 2个单元被认为是6个连接的节点,bdc2-配体充当接头。未配位的水分子位于Zn4(OH)2单元的相对侧,并通过涉及氢氧根和羧酸根的氢键相互作用与之相连。 pdon和μ4-bdc2-配体之间广泛的π-π相互作用进一步稳定了结构。

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