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Abstract <p>The structure of a non-trivial hexanuclear mixed-ligand [Cu<sub>6</sub>(phen)<sub>6</sub>(H<sub>2</sub>O)<sub>4</sub>L<sub>6</sub>]·2EtOH·10H<sub>2</sub>O copper(II) complex with 1,10-phenanthroline (phen) and a 4-(1<i>H</i>-tetrazole-5-yl)benzoic acid (L<sup>2–</sup>) anion is determined by single-crystal X-ray diffraction (XRD). The complex crystallizes in the <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="10947_2025_3086_Article_IEq1.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="23" /> </InlineMediaObject> <EquationSource Format="TEX">\(P\bar{1}\)</EquationSource> </InlineEquation> space group. Its structure contains three crystallographically non-equivalent copper(II) atoms. Cu2 and Cu3 occur in a distorted square-pyramidal environment, and Cu1 has a 5&#xa0;+&#xa0;1 coordination environment. The doubly deprotonated 4-(1<i>H</i>-tetrazole-5-yl)benzoic acid molecule adopts several possible coordinations and acts as a terminal and a bridging ligand connecting copper(II) atoms with each other. As a result of intermolecular π⋯π interactions and hydrogen bonds, the hexanuclear fragments are packed into an interpenetrating supramolecular layered structure.</p>

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Non-Trivial Hexanuclear Copper(II) Complex Based on 4‑(1H-tetrazole-5-yl)Benzoic Acid and 1,10-Phenanthroline

  • 期刊论文

  • 发表日期：

    2025年8月29日

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  • E. A. Ermakova,
  • K. S. Smirnova,
  • E. V. Lider

摘要

Abstract

The structure of a non-trivial hexanuclear mixed-ligand [Cu6(phen)6(H2O)4L6]·2EtOH·10H2O copper(II) complex with 1,10-phenanthroline (phen) and a 4-(1H-tetrazole-5-yl)benzoic acid (L2–) anion is determined by single-crystal X-ray diffraction (XRD). The complex crystallizes in the \(P\bar{1}\) space group. Its structure contains three crystallographically non-equivalent copper(II) atoms. Cu2 and Cu3 occur in a distorted square-pyramidal environment, and Cu1 has a 5 + 1 coordination environment. The doubly deprotonated 4-(1H-tetrazole-5-yl)benzoic acid molecule adopts several possible coordinations and acts as a terminal and a bridging ligand connecting copper(II) atoms with each other. As a result of intermolecular π⋯π interactions and hydrogen bonds, the hexanuclear fragments are packed into an interpenetrating supramolecular layered structure.