首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of bis­{μ2-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ2N:N′}bis­[(η5-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate
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Crystal structure of bis­{μ2-[(2-imino­cyclo­pentyl­idene)methyl­idene]aza­nido-κ2N:N′}bis­[(η5-penta­methyl­cyclo­penta­dien­yl)zirconium(IV)] hexane monosolvate

机译:双{μ2-[(2-亚氨基环戊叉基)亚甲基]氮杂-κ2N:N'}双[(η5-五甲基环戊二烯基)锆(IV)]己烷单溶剂化物的晶体结构

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摘要

The title compound, [Zr2(C10H15)4(C6H6N2)2]·C6H14, was obtained by the stoichiometric reaction of adipo­nitrile with [Zr(C10H15)2(η2-Me3SiC2SiMe3)]. Intra­molecular nitrile–nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)­cyclo­pentane ligand, which functions as a five-membered bridge between the two metal atoms. The ZrIV atom exhibits a distorted tetra­hedral coordination sphere defined by two penta­methyl­cyclo­penta­dienyl ligands, by the imino unit of one (1-imino-2-enimino)­cyclo­pentane and by the enimino unit of the second (1-imino-2-enimino)­cyclo­pentane. The cyclo­pentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent mol­ecule, both being completed by the application of inversion symmetry. One of the penta­methyl­cyclo­penta­dienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex mol­ecules are packed into rods extending along [100], with the solvent mol­ecules located in between. The rods are arranged in a distorted hexa­gonal packing.
机译:通过己二腈与[Zr(C10H15)2(η2-Me3SiC2SiMe3)]的化学计量反应获得标题化合物[Zr2(C10H15)4(C6H6N2)2]·C6H14。分子内的腈-腈偶联和底物的去质子化产生了(1-亚氨基-2-亚氨基)环戊烷配体,该配体起着两个金属原子之间的五元桥的作用。 ZrIV原子显示出一个扭曲的四面体配位球,它由两个五甲基环戊二烯基配体,一个(1-亚氨基-2-亚氨基)环戊烷的亚氨基单元和第二个(1-亚氨基-2-亚氨基)环戊烷的亚氨基单元所定义。配体的环戊烷环显示出包膜构象。不对称单元包含一半的络合物和一半的己烷溶剂分子,均通过应用反对称来完成。五甲基环戊二烯基配体之一在两组位点上无序排列,精制占有比为0.8111(3):0.189(3)。在晶体中,络合物分子堆积成沿着[100]延伸的棒,溶剂分子位于它们之间。杆布置在扭曲的六角形填料中。

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