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{双-[5-甲基-3-(三氟甲基)吡唑-1-基]硼酸根}{三-[5-甲基-3-(三氟甲基)吡唑-1-基]硼酸根}钴(II)的第二种单斜多晶型物：一种包含B-H⋯Co螯合相互作用的结构

A second monoclinic polymorph of {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. 2011 Jul 1;67(Pt 7):m911-2. doi: 10.1107/S1600536811021994. Epub 2011 Jun 11.

DOI:10.1107/S1600536811021994
PMID:21836897
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3151874/
Abstract

The title compound, [Co(C(10)H(10)BF(6)N(4))(C(15)H(13)BF(9)N(6))], is a polymorph of the previously reported neutral cobalt(II) complex [Stibrany & Potenza (2010 ▶). Acta Cryst. E66, m506-m507], which contains one each of the monoanionic ligands, bis-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borate (Bp) and tris-[5-methyl-3-(trifluoro-meth-yl)pyrazol-1-yl]borate (Tp). A distorted octahedral coordination geometry of the Co(II) atom results from ligation of an H atom, which is part of an agostic B-H⋯Co inter-action [H⋯Co = 2.12 (3) Å], and by five imine N atoms, two from a Bp ligand and three from a Tp ligand. Weak intra- and inter-molecular C-F⋯π inter-actions with F⋯centroid distances ranging from 3.025 (4) to 3.605 (4) Å are observed.

摘要

标题化合物[Co(C₁₀H₁₀BF₆N₄)(C₁₅H₁₃BF₉N₆)]是先前报道的中性钴(II)配合物[Stibrany & Potenza (2010 ▶). Acta Cryst. E66, m506 - m507]的一种多晶型物，该配合物包含单阴离子配体双-[5 - 甲基 - 3 - (三氟甲基)吡唑 - 1 - 基]硼酸根(Bp)和三-[5 - 甲基 - 3 - (三氟甲基)吡唑 - 1 - 基]硼酸根(Tp)各一个。Co(II)原子的扭曲八面体配位几何结构是由一个H原子（作为B - H⋯Co agostic相互作用的一部分，H⋯Co = 2.12 (3) Å）以及五个亚胺N原子配位形成的，其中两个N原子来自一个Bp配体，三个N原子来自一个Tp配体。观察到分子内和分子间存在弱的C - F⋯π相互作用，F⋯质心距离范围为3.025 (4)至3.605 (4) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75f9/3151874/679b97e51cd8/e-67-0m911-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75f9/3151874/679b97e51cd8/e-67-0m911-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75f9/3151874/679b97e51cd8/e-67-0m911-fig1.jpg

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