PDF(Pubmed)
Abstract：
The title compound, [Ir(C8H12)(C8H15N3)(C18H15P)]BF4, a new triazole-based N-heterocyclic carbene iridium(I) cationic complex with a tetra-fluorido-borate counter-anion, crystallizes with two cations and two anions in the asymmetric unit of space group Pc. The Ir centers of the cations have distorted square-planar conformations, formed by a bidentate (η2 + η2) cyclo-octa-1,5-diene (COD) ligand, an N-heterocyclic carbene and a tri-phenyl-phosphane ligand with the NHC carbon atom and P atom being cis. In the extended structure, non-classical C-H⋯F hydrogen bonds, one of which is notably short (H⋯F = 2.21 Å), link the cations and anions. The carbon atoms of one of the COD ligands are disordered over adjacent sites in a 0.62:0.38 ratio.
摘要：
标题化合物，[Ir（C8H12）（C8H15N3）（C18H15P）]BF4，一种新的基于三唑的N-杂环卡宾铱（I）阳离子配合物，具有四氟硼酸盐抗衡阴离子，在空间群Pc的不对称单元中与两个阳离子和两个阴离子结晶。阳离子的Ir中心具有扭曲的正方形平面构象，由二齿(η2+η2)环-八-1,5-二烯(COD)配体形成，具有NHC碳原子和P原子的N-杂环卡宾和三苯基-膦配体是顺式的。在扩展结构中，非经典C-H-F氢键，其中一个特别短(H-F=2.21µ)，连接阳离子和阴离子。COD配体之一的碳原子在相邻位点上以0.62：0.38的比例无序。
