Roy Tapashi G, Palit Debashis, Nath Babul Chandra, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):m525-6. doi: 10.1107/S1600536812013232. Epub 2012 Mar 31.
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)%.
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)%。
