首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >The crystal structure of bis­{35-di­fluoro-2-4-(246-tri­methyl­phen­yl)pyridin-2-ylphen­yl}(picolinato)iridium(III) and its 4-tert-butyl­pyridin-2-yl analogue
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The crystal structure of bis­{35-di­fluoro-2-4-(246-tri­methyl­phen­yl)pyridin-2-ylphen­yl}(picolinato)iridium(III) and its 4-tert-butyl­pyridin-2-yl analogue

机译:双{35-二氟-2- 4-(246-三甲基苯基)吡啶-2-基苯基}(吡啶啉)铱(III)及其4-叔丁基吡啶-2的晶体结构-yl类似物

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摘要

The crystal structures of bis­{3,5-di­fluoro-2-[4-(2,4,6-tri­methyl­phen­yl)pyridin-2-yl]phenyl-κ2 N,C 1}(picolinato-κ2 N,O)iridium(III), [Ir(C20H16F2N)2(C6H4NO2)], >1, and bis­[2-(4-tert-butyl­pyridin-2-yl)-3,5-di­fluoro­phenyl-κ2 N,C 1](picolinato-κ2 N,O)iridium(III), [Ir(C15H14F2N)2(C6H4NO2)], >2, are presented herein. These phospho­rescent cyclo­metallated iridium(III) compounds have been structurally investigated in order to better understand the nature of their blue-shifted emssions while maintaining high quantum yields. Compound >1 exhibits substantial twisting of the mesitylene rings out of the plane of the attached pyridine ring, with dihedral angles of 67.0 (1) and 78.7 (1)° between the best mean planes. For both compounds, the contribution of disordered solvent mol­ecule(s) was removed using the SQUEEZE [Spek (2015). Acta Cryst. C>71, 9–18] routine in PLATON [Spek (2015). Acta Cryst. C>71, 9–18]. These solvent mol­ecules are not considered in the given chemical formula and other crystal data.
机译:双{3,5-二氟-2- [4-(2,4,6-三甲基苯基)吡啶-2-基]苯基-κ 2 N,C 1的晶体结构}(picolinato-κ 2 N,O)铱(III),[Ir(C20H16F2N)2(C6H4NO2)],> 1 和bis [2 -(4-叔丁基吡啶-2-基)-3,5-二氟苯基-κ 2 N,C 1 ](picolinato-κ 2 N,O)铱(III),[Ir(C15H14F2N)2(C6H4NO2)],> 2 。为了更好地了解其蓝移发光的性质并同时保持高量子产率,已经对这些磷光环金属化铱(III)化合物进行了结构研究。化合物> 1 表现出均三甲苯环在连接的吡啶环平面外的大量扭曲,最佳平均平面之间的二面角为67.0(1)和78.7(1)°。对于这两种化合物,使用SQUEEZE [Spek(2015)消除了无序溶剂分子的贡献。 Acta Cryst。 C > 71 ,9–18]在PLATON [Spek(2015)中进行。 Acta Cryst。 C > 71 ,9-18]。在给定的化学式和其他晶体数据中未考虑这些溶剂分子。

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