Supramolecular architecture of metal-organic frameworks involving dinuclear copper paddle-wheel complexes.

IF 0.8 4区 化学 Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-30 DOI:10.1107/S0108270113031429
Sundaramoorthy Gomathi, Packianathan Thomas Muthiah
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引用次数: 4

Abstract

The two centrosymmetric dinuclear copper paddle-wheel complexes tetrakis(μ-4-hydroxybenzoato-κ(2)O:O')bis[aquacopper(II)] dimethylformamide disolvate dihydrate, [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I), and tetrakis(μ-4-methoxybenzoato-κ(2)O:O')bis[(dimethylformamide-κO)copper(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II), crystallize with half of the dinuclear paddle-wheel cage unit in the asymmetric unit and, in addition, complex (I) has one dimethylformamide (DMF) and one water solvent molecule in the asymmetric unit. In both (I) and (II), two Cu(II) ions are bridged by four syn,syn-η(1):η(1):μ carboxylate groups, showing a paddle-wheel cage-type structure with a square-pyramidal coordination geometry. The equatorial positions of (I) and (II) are occupied by the carboxylate groups of 4-hydroxy- and 4-methoxybenzoate ligands, and the axial positions are occupied by aqua and DMF ligands, respectively. The three-dimensional supramolecular metal-organic framework of (I) consists of three different R2(2)(20) and an R4(4)(36) ring motif formed via O-H···O and OW-HW···O hydrogen bonds. Complex (II) simply packs as molecular species.

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涉及双核铜桨轮配合物的金属-有机框架的超分子结构。
两个中心对称双核铜桨轮配合物(μ-4-羟基苯甲酸-κ(2)O:O′)bis[水产养殖(II)]二甲基甲酰胺二水合物[Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I))和(μ-4-甲氧基苯甲酸-κ(2)O:O′)bis[(二甲基甲酰胺-κO)铜(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II))在不对称单元中与一半的双核桨轮笼单元结晶。配合物(I)在不对称单元中有一个二甲基甲酰胺(DMF)和一个水溶剂分子。在(I)和(II)中,两个Cu(II)离子被syn-η(1):η(1):μ羧酸基团桥接,呈现出具有方锥体配位几何的桨轮笼型结构。(I)和(II)的赤道位置分别被4-羟基和4-甲氧基苯甲酸配体的羧酸基占据,轴向位置分别被水和DMF配体占据。(I)的三维超分子金属-有机骨架由三个不同的R2(2)(20)和一个R4(4)(36)环基序组成,由O- h··O和OW-HW··O氢键形成。复合体(II)简单地包装为分子物种。
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期刊介绍: Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.
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