[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-4-isobutyl-1,2,4-triazol-5-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate

IUCrData Pub Date : 2024-08-01 DOI:10.1107/S2414314624007454

Timothy G. Lerch , Michael Gau , Daniel R. Albert , Edward Rajaseelan

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Abstract

There are two independent ion pairs in the asymmetric unit with each complex cation exhibiting a distorted square-planar conformation around the rhodium(I) atom.

A new, cationic N-heterocyclic carbene Rh^I complex with a tetrafluoridoborate counter-anion, [Rh(C₈H₁₂)(C₈H₁₅N₃)(C₁₈H₁₅P)]BF₄, has been synthesized and structurally characterized. There are two independent ion pairs in the asymmetric unit. Each complex cation exhibits a distorted square-planar conformation around the Rh^I atom. Bond lengths and bond angles are as expected for an Rh–NHC complex. There are several close, non-standard C—H⋯F hydrogen-bonding interactions between the ions. One of the tetrafluoridoborate anions shows statistical disorder of the F atoms.

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[(1,2,5,6-η)-环辛烷-1,5-二烯](1-乙基-4-异丁基-1,2,4-三唑-5-亚基)(三苯基膦)四氟硼酸铑(I)

在不对称单元中有两个独立的离子对，每个配合物阳离子都围绕铑（I）原子呈现扭曲的方平面构象。不对称单元中有两个独立的离子对。每个配合物阳离子都围绕着 RhI 原子呈现扭曲的方平面构象。键长和键角符合 Rh-NHC 复合物的预期。离子之间存在几种紧密的、非标准的 C-H⋯F 氢键相互作用。其中一个四氟硼酸阴离子的 F 原子出现了统计紊乱：下载高清图片 (283KB)Download：下载全尺寸图像

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