Roy Tapashi G, Hazari Saroj K S, Barua Kanak K, Ng Seik Weng, Tiekink Edward R T
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1722-3. doi: 10.1107/S1600536811046484. Epub 2011 Nov 9.
The Co(III) atom in the title complex, [CoCl(2)(C(40)H(48)N(4))]ClO(4), is octa-hedrally coordinated within a trans-Cl(2)N(4) donor set provided by the tetra-dentate macrocylic ligand and two chloride ions. The N-H atoms, which are orientated to one side of the N(4) plane, form hydrogen bonds with chloride ions and perchlorate-O atoms. These along with C-H⋯O inter-actions consolidate the three-dimensional crystal structure. One of the benzene rings was disordered. This was resolved over two positions with the major component of the disorder having a site-occupancy factor of 0.672 (4).
标题配合物[CoCl₂(C₄₀H₄₈N₄)]ClO₄中的Co(III)原子在由四齿大环配体和两个氯离子提供的反式-Cl₂N₄供体组内呈八面体配位。取向于N₄平面一侧的N-H原子与氯离子和高氯酸根-O原子形成氢键。这些氢键以及C-H⋯O相互作用巩固了三维晶体结构。其中一个苯环无序。该无序在两个位置上得以解析,无序的主要组分的占有率因子为0.672 (4)。