{"title":"基于4 - （1h -四唑-5-基）苯甲酸和1,10-菲罗啉的非平凡六核铜（II）配合物","authors":"E. A. Ermakova, K. S. Smirnova, E. V. Lider","doi":"10.1134/S0022476625080062","DOIUrl":null,"url":null,"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 <span>\\(P\\bar{1}\\)</span> 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-(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>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 8","pages":"1592 - 1598"},"PeriodicalIF":1.4000,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Non-Trivial Hexanuclear Copper(II) Complex Based on 4‑(1H-tetrazole-5-yl)Benzoic Acid and 1,10-Phenanthroline\",\"authors\":\"E. A. Ermakova, K. S. Smirnova, E. V. Lider\",\"doi\":\"10.1134/S0022476625080062\",\"DOIUrl\":null,\"url\":null,\"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 <span>\\\\(P\\\\bar{1}\\\\)</span> 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-(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>\",\"PeriodicalId\":668,\"journal\":{\"name\":\"Journal of Structural Chemistry\",\"volume\":\"66 8\",\"pages\":\"1592 - 1598\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2025-08-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Structural Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0022476625080062\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0022476625080062","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Non-Trivial Hexanuclear Copper(II) Complex Based on 4‑(1H-tetrazole-5-yl)Benzoic Acid and 1,10-Phenanthroline
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.
期刊介绍：
Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.
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