Kodama Shintaro, Kondo Shota, Nomoto Akihiro, Ogawa Akiya
Department of Applied Chemistry, Graduate School of Engineering, Osaka Prefecture University, 1-1 Gakuen-cho, Nakaku, Sakai, Osaka 599-8531, Japan.
IUCrdata. 2020 Apr 7;5(Pt 4):x200449. doi: 10.1107/S2414314620004496. eCollection 2020 Apr.
The title hepta-nuclear alkoxido(oxido)vanadium(V) oxide cluster complex, [V(CHO)O(CHN)]·CHCN, was obtained by the reaction of [VO(CHN)] with 4--butyl-cyclo-hexa-nol (mixture of and ) in a mixed CHCl/CHCN solvent. The complex has a VON core with approximately symmetry, which is composed of two VO tetra-hedra, two VO octa-hedra and three VON octa-hedra. In the crystal, these complexes are linked together by weak inter-molecular C-H⋯O hydrogen bonds between the 4,4'-di--butyl-2,2'-bi-pyridine ligand and the VON core, forming a one-dimensional network along the -axis direction. Besides the complex, the asymmetric unit contains one CHCN solvent mol-ecule. The contribution of other disordered solvent mol-ecules to the scattering was removed using the SQUEEZE option in [Spek (2015 ▸). . C, 9-18]. The unknown solvent mol-ecules are not considered in the chemical formula and other crystal data.
标题为七核烷氧基（氧基）钒（V）氧化物簇合物[V(CHO)O(CHN)]·CHCN，是通过[VO(CHN)]与4-叔丁基环己醇（顺式和反式混合物）在CHCl/CHCN混合溶剂中反应得到的。该配合物具有一个具有近似Cₛ对称性的V₇O₁₀N核心，它由两个VO₄四面体、两个VO₆八面体和三个V₅O₉N八面体组成。在晶体中，这些配合物通过4,4'-二叔丁基-2,2'-联吡啶配体与V₇O₁₀N核心之间的弱分子间C-H⋯O氢键连接在一起，沿c轴方向形成一维网络。除了该配合物外，不对称单元还包含一个CHCN溶剂分子。使用PLATON [Spek (2015 ▸). Acta Cryst. C, 9-18]中的SQUEEZE选项去除了其他无序溶剂分子对散射的贡献。化学式和其他晶体数据中未考虑未知的溶剂分子。
