Poly[tris(2-aminobutan-1-ol)copper(II) [hexakis-μ2-cyanido-κ12C:N-tetracopper(I)] bis(2-aminobutan-1-olato)aquacopper(II) monohydrate]

IUCrData Pub Date : 2024-08-01 DOI:10.1107/S2414314624008459

Peter W. R. Corfield , Paul Salvi

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Abstract

The title structure is made up of diperiodic anionic Cu^ICN networks and two independent Cu^II complexes that are not covalently bonded to the networks.

The title structure, {[Cu(C₄H₁₁NO)₃][Cu₄(CN)₆]·[Cu(C₄H₁₀NO)₂(H₂O)]·H₂O}_n, is made up of diperiodic honeycomb Cu^ICN networks built from [Cu₄(CN)₆]²⁻ units, together with two independent Cu^II complexes: six-coordinate [Cu(CH₃CH₂CH(NH₂)CH₂OH)₃]²⁺ cations, and five-coordinate [Cu(CH₃CH₂CH(NH₂)CH₂O)₂·H₂O] neutral species. The two Cu^II complexes are not covalently bonded to the Cu^ICN networks. Strong O—H⋯O hydrogen bonds link the Cu^II complexes into pairs and the pairs are hydrogen bonded into chains along the crystallographic b axis via the hydrate water molecule. In addition, O—H⋯(CN) and N—H⋯(CN) hydrogen bonds link the cations to the CuCN network. In the honeycomb polymeric moiety, all bridging cyanido ligands are disordered over two orientations, head-to-tail and tail-to-head, with occupancies for C and N atoms varying for each CN group.

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聚[三(2-氨基丁-1-醇)铜(II) [六-μ2-氰基-κ12C:N-四铜(I)] 双(2-氨基丁-1-醇)水合铜(II)一水合物］

标题结构是由双周期阴离子 CuICN 网络和两个独立的 CuII 复合物组成的，这两个复合物与网络没有共价键。标题结构{[Cu(C4H11NO)3][Cu4(CN)6]-[Cu(C4H10NO)2(H2O)]-H2O}n 是由[Cu4(CN)6]2- 单元构建的二周期蜂窝状 CuICN 网络和两个独立的 CuII 复合物组成：六配位[Cu(CH3CH2CH(NH2)CH2OH)3]2+阳离子和五配位[Cu(CH3CH2CH(NH2)CH2O)2-H2O]中性物种。这两种 CuII 复合物没有与 CuICN 网络共价键合。强 O-H⋯O 氢键将 CuII 复合物连接成对，这对复合物通过水合物水分子沿晶体学 b 轴氢键成链。此外，O-H⋯(CN) 和 N-H⋯(CN)氢键将阳离子与 CuCN 网络连接起来。在蜂窝状聚合物分子中，所有桥接的氰基配体在头对尾和尾对头两个方向上都是无序的，每个 CN 基团的 C 原子和 N 原子的占有率各不相同：下载高清图片 (267KB)Download：下载全尺寸图像

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