(Hexafluorosilicato-κ(2)F,F')bis(1,10-phenanthroline-κ(2)N,N')zinc(II) methanol monosolvate.

IF 0.8 4区化学 Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-10-01 Epub Date: 2013-09-06 DOI:10.1107/S0108270113023007

Rüdiger W Seidel, Christina Dietz, Jürgen Breidung, Richard Goddard, Iris M Oppel

{"title":"(Hexafluorosilicato-κ(2)F,F')bis(1,10-phenanthroline-κ(2)N,N')zinc(II) methanol monosolvate.","authors":"Rüdiger W Seidel, Christina Dietz, Jürgen Breidung, Richard Goddard, Iris M Oppel","doi":"10.1107/S0108270113023007","DOIUrl":null,"url":null,"abstract":"<p><p>The title compound, [Zn(SiF6)(C12H8N2)2]·CH3OH, contains a neutral heteroleptic tris-chelate Zn(II) complex, viz. [Zn(SiF6)(phen)2] (phen is 1,10-phenanthroline), exhibiting approximate molecular C2 point-group symmetry. The Zn(II) cation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a Zn(II) complex bearing a bidentate-bound hexafluorosilicate ligand. A density functional theory study of the isolated [Zn(SiF6)(phen)2] complex was undertaken to reveal the influence of crystal packing on the molecular structure of the complex. In the crystal structure, the methanol solvent molecule forms a hydrogen bond to one F atom of the hexafluorosilicate ligand. The hydrogen-bonded assemblies so formed are tightly packed in the crystal, as indicated by a high packing coefficient (74.1%). </p>","PeriodicalId":7368,"journal":{"name":"Acta crystallographica. Section C, Crystal structure communications","volume":"69 Pt 10","pages":"1112-5"},"PeriodicalIF":0.8000,"publicationDate":"2013-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1107/S0108270113023007","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta crystallographica. Section C, Crystal structure communications","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1107/S0108270113023007","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2013/9/6 0:00:00","PubModel":"Epub","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 1

Abstract

The title compound, [Zn(SiF6)(C12H8N2)2]·CH3OH, contains a neutral heteroleptic tris-chelate Zn(II) complex, viz. [Zn(SiF6)(phen)2] (phen is 1,10-phenanthroline), exhibiting approximate molecular C2 point-group symmetry. The Zn(II) cation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a Zn(II) complex bearing a bidentate-bound hexafluorosilicate ligand. A density functional theory study of the isolated [Zn(SiF6)(phen)2] complex was undertaken to reveal the influence of crystal packing on the molecular structure of the complex. In the crystal structure, the methanol solvent molecule forms a hydrogen bond to one F atom of the hexafluorosilicate ligand. The hydrogen-bonded assemblies so formed are tightly packed in the crystal, as indicated by a high packing coefficient (74.1%).

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

六氟硅酸-κ(2)F,F')双(1,10-菲罗啉-κ(2)N,N')锌(II)甲醇单溶剂。

标题化合物[Zn(SiF6)(C12H8N2)2]·CH3OH含有一个中性的杂电性三螯合Zn(II)配合物，即[Zn(SiF6)(phen)2] (phen为1,10-菲罗啉)，具有近似的分子C2点基对称性。Zn(II)阳离子采用严重畸变的八面体配位。就可以确定的而言，标题配合物代表了具有双齿结合六氟硅酸盐配体的Zn(II)配合物的第一个结构特征实例。对分离的[Zn(SiF6)(phen)2]配合物进行了密度泛函理论研究，揭示了晶体填充对配合物分子结构的影响。在晶体结构中，甲醇溶剂分子与六氟硅酸盐配体的一个F原子形成氢键。这样形成的氢键组合在晶体中被紧密地包裹，这表明了高的包裹系数(74.1%)。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文去求助

来源期刊

Acta crystallographica. Section C, Crystal structure communications 化学-晶体学

自引率

12.50%

发文量

审稿时长

1 months

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.

期刊最新文献

Equilin. (+-)-Tartaric acid. DL-Proline. DL-Alanine. The Etymology of Chemical Names. Tradition and Convenience vs. Rationality in Chemical Nomenclature. By Alexander Senning. De Gruyter, 2019. Hardcover, Pp. xiv+505. Price EUR 149.95, USD 172.99, GBP 136.50. ISBN 978-3-11-061106-9.