The crystal structure of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phen-yl}(picolinato)iridium(III) and its 4-tert-butyl-pyridin-2-yl analogue.

双-{3,5-二氟-2-[4-(2,4,6-三甲基苯基)吡啶-2-基]苯基}(吡啶甲酸根)铱(III)及其4-叔丁基吡啶-2-基类似物的晶体结构

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作者:Sanner Robert D, Young Victor G Jr
The crystal structures of bis-{3,5-di-fluoro-2-[4-(2,4,6-tri-methyl-phen-yl)pyridin-2-yl]phenyl-κ(2) N,C (1)}(picolinato-κ(2) N,O)iridium(III), [Ir(C(20)H(16)F(2)N)(2)(C(6)H(4)NO(2))], 1, and bis-[2-(4-tert-butyl-pyridin-2-yl)-3,5-di-fluoro-phenyl-κ(2) N,C (1)](picolinato-κ(2) N,O)iridium(III), [Ir(C(15)H(14)F(2)N)(2)(C(6)H(4)NO(2))], 2, are presented herein. These phospho-rescent cyclo-metallated 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 mol-ecule(s) was removed using the SQUEEZE [Spek (2015 ▸). Acta Cryst. C71, 9-18] routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9-18]. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

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