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四-(μ-4-苄基-4-1,2,4-三唑-κ:N)四氟化二-μ-氧代-二氧化二银(I)二钒(V)的晶体结构

Crystal structure of tetra-kis-(μ-4-benzyl-4-1,2,4-triazole-κ : )tetra-fluoridodi-μ-oxido-dioxidodisilver(I)divanadium(V).

作者信息

Senchyk Ganna A, Lysenko Andrey B, Rusanov Eduard B, Domasevitch Kostiantyn V

机构信息

Inorganic Chemistry Department, Taras Shevchenko National University of Kyiv, Volodymyrska Street, 64, Kyiv 01033, Ukraine.

Institute of Organic Chemistry, Murmanska Street, 5, Kyiv, 02660, Ukraine.

出版信息

Acta Crystallogr E Crystallogr Commun. 2022 Mar 15;78(Pt 4):399-403. doi: 10.1107/S2056989022001712. eCollection 2022 Apr 1.

DOI:10.1107/S2056989022001712
PMID:35492271
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8983979/
Abstract

The crystal structure of the title compound, [Ag(VOF)(CHN)], is presented. The mol-ecular complex is based on the heterobimetallic Ag-V fragment {Ag (VOF)()} supported by four 1,2,4-triazole ligands [4-benzyl-(4-1,2,4-triazol-4-yl)]. The triazole functional group demonstrates homo- and heterometallic connectivity (Ag-Ag and Ag-V) of the metal centers through the [-NN-] double and single bridges, respectively. The vanadium atom possesses a distorted trigonal-bipyramidal coordination environment [VOFN] with the Reedijk structural parameter τ = 0.59. In the crystal, C-H⋯O and C-H⋯F hydrogen bonds as well as C-H⋯ contacts are observed involving the organic ligands and the vanadium oxofluoride anions. A Hirshfeld surface analysis of the hydrogen-bonding inter-actions is also described.

摘要

本文报道了标题化合物[Ag(VOF)(CHN)]的晶体结构。分子络合物基于由四个1,2,4-三唑配体[4-苄基-(4-1,2,4-三唑-4-基)]支撑的异双金属Ag-V片段{Ag (VOF)()}。三唑官能团分别通过[-NN-]双桥和单桥展示了金属中心的同金属和异金属连接性(Ag-Ag和Ag-V)。钒原子具有扭曲的三角双锥配位环境[VOFN],里德伊克结构参数τ = 0.59。在晶体中,观察到涉及有机配体和氧氟钒阴离子的C-H⋯O和C-H⋯F氢键以及C-H⋯接触。还描述了氢键相互作用的 Hirshfeld 表面分析。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/c5faa09e85ee/e-78-00399-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/40982aa634bb/e-78-00399-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/45af9ae16063/e-78-00399-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/e98f53f040bc/e-78-00399-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/c469c33ab702/e-78-00399-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/c5faa09e85ee/e-78-00399-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/40982aa634bb/e-78-00399-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/45af9ae16063/e-78-00399-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/e98f53f040bc/e-78-00399-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/c469c33ab702/e-78-00399-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4ed8/8983979/c5faa09e85ee/e-78-00399-fig5.jpg

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