（5-甲基-吡嗪-2-羧基-κ(2) N(1),O）双-[2-(4-甲基-吡啶-2-基-κN)-3,5-双-(三氟甲基)苯基-κC(1)]铱(III) 氯仿半溶剂化物
(5-Methyl-pyrazine-2-carboxyl-ato-κ(2) N (1),O)bis-[2-(4-methyl-pyridin-2-yl-κN)-3,5-bis-(tri-fluoro-meth-yl)phenyl-κC (1)]iridium(III) chloro-form hemisolvate.
作者信息
Kim Young-Inn, Song Young-Kwang, Kang Sung Kwon
机构信息
Department of Chemistry Education and Department of Chemical Materials, Graduate School, Pusan National University, Busan 609-735, Republic of Korea.
Department of Chemistry, Chungnam National University, Daejeon 305-764, Republic of Korea.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 8;70(Pt 2):m34. doi: 10.1107/S1600536813034727. eCollection 2014 Feb 1.
In the title complex, [Ir(C14H8F6N)2(C6H5N2O2)]·0.5CHCl3, the Ir(III) atom adopts a distorted octa-hedral geometry, being coordinated by three N atoms (arranged meridionally), two C atoms and one O atom of three bidentate ligands. The complex mol-ecules pack with no specific inter-molecular inter-actions between them. The SQUEEZE procedure in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155] was used to model a disordered chloro-form solvent mol-ecule; the calculated unit-cell data allow for the presence of half of this mol-ecule in the asymmetric unit.
在标题配合物[Ir(C₁₄H₈F₆N)₂(C₆H₅N₂O₂)]·0.5CHCl₃中，Ir(III)原子采用扭曲的八面体几何构型，由三个双齿配体的三个N原子（呈经向排列）、两个C原子和一个O原子配位。配合物分子堆积时它们之间没有特定的分子间相互作用。使用PLATON [Spek (2009 ▶). Acta Cryst. D65, 148 - 155]中的SQUEEZE程序对无序的氯仿溶剂分子进行建模；计算得到的晶胞数据表明不对称单元中存在该分子的一半。
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