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顺式-(乙酸根-κ(2)O,O')(5,5,7,12,12,14-六甲基-1,4,8,11-四氮杂环十四烷-κ(4)N,N',N'',N''')镍(II)高氯酸盐一水合物

cis-(Acetato-κ(2)O,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-κ(4)N,N',N'',N''')nickel(II) perchlorate monohydrate.

作者信息

Roy Tapashi G, Palit Debashis, Nath Babul Chandra, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):m525-6. doi: 10.1107/S1600536812013232. Epub 2012 Mar 31.

Abstract

The complete cation in the title hydrated mol-ecular salt, [Ni(CH(3)CO(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, is generated by the application of crystallographic twofold symmetry; the perchlorate anion and water mol-ecule are each disordered around a twofold axis. The Ni(II) atom exists within a cis-N(4)O(2) donor set based on a strongly distorted octa-hedron and defined by the four N atoms of the macrocyclic ligand and two O atoms of a symmetrically coordinating acetate ligand. In the crystal, hydrogen bonding (water-acetate/perchlorate O-H⋯O and amine-perchlorate N-H⋯O) leads to layers in the ab plane. The layers stack along the c axis, being connected by C-H⋯O(water) inter-actions. The crystal studied was found to be a non-merohedral twin; the minor component refined to 15.9 (6)%.

摘要

标题水合分子盐[Ni(CH₃CO₂)(C₁₆H₃₆N₄)]ClO₄·H₂O中的完整阳离子是通过晶体学二重对称性产生的;高氯酸根阴离子和水分子各自围绕一个二重轴无序排列。Ni(II)原子存在于基于严重扭曲八面体的顺式-N₄O₂供体集合中,由大环配体的四个N原子和对称配位的乙酸根配体的两个O原子定义。在晶体中,氢键作用(水-乙酸根/高氯酸根O-H⋯O和胺-高氯酸根N-H⋯O)导致在ab平面上形成层状结构。这些层沿着c轴堆叠,通过C-H⋯O(水)相互作用连接。研究发现所研究的晶体是一个非镜像孪晶;次要组分精修至15.9 (6)%。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c93/3343905/451f0f2d1ee9/e-68-0m525-fig1.jpg

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