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双[5-甲基-3-(三氟甲基)吡唑-1-基]硼酸根合{三[5-甲基-3-(三氟甲基)吡唑-1-基]硼酸根合}钴(II):一种包含B-H⋯Co agostic相互作用的结构

{Bis[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}{tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B-H⋯Co agostic inter-action.

作者信息

Stibrany Robert T, Potenza Joseph A

机构信息

Department of Chemistry and Chemical Biology, Rutgers, The State University of New Jersey, 610 Taylor Road, Piscataway, New Jersey 08854 USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 10;66(Pt 5):m506-7. doi: 10.1107/S1600536810011773.

Abstract

The title compound, [Co(C(10)H(10)BF(6)N(4))(C(15)H(13)BF(9)N(6))], is a neutral Co(II) complex which contains one each of the anionic ligands, bis-(3-trifluoro-methyl-5-methyl-pyrazol-1-yl)borate (Bp) and tris-(3-trifluoro-methyl-5-methyl-pyrazol-1-yl)borate (Tp). A distorted octa-hedral coordination geometry results from ligation of an H atom, which is part of an agostic B-H⋯Co inter-action (H⋯Co = 2.17 Å), and by five imine N atoms, two from a Bp ligand and three from a Tp ligand. In the crystal, mol-ecules form layers parallel to the (10) planes, and the layers are linked along the a axis by C-H⋯F hydrogen bonds. An intra-molecular C-H⋯F inter-action also occurs.

摘要

标题化合物[Co(C₁₀H₁₀BF₆N₄)(C₁₅H₁₃BF₉N₆)]是一种中性Co(II)配合物,它包含一个双(3 - 三氟甲基 - 5 - 甲基 - 吡唑 - 1 - 基)硼酸根(Bp)和一个三(3 - 三氟甲基 - 5 - 甲基 - 吡唑 - 1 - 基)硼酸根(Tp)这两种阴离子配体各一个。一个H原子(它是一个B - H⋯Co agostic相互作用的一部分,H⋯Co = 2.17 Å)以及五个亚胺N原子(两个来自Bp配体,三个来自Tp配体)的配位导致了扭曲的八面体配位几何结构。在晶体中,分子形成平行于(10)平面的层,并且这些层沿着a轴通过C - H⋯F氢键相连。还存在分子内C - H⋯F相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5780/2979213/f1c83dd6d380/e-66-0m506-fig1.jpg

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