Xu Qiang, Wang Zhaodong, He Jiahong, Song Zhongrong, Chen Fengming, Meng Jiangping, Hu Chengbo
School of Materials and Chemical Engineering, Chongqing University of Arts and Sciences, Yongchuan, Chongqing 402160, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1060-1. doi: 10.1107/S1600536812031248. Epub 2012 Jul 14.
In the dinuclear title complex, Cu(2)(C(30)H(38)N(4)O(2))(H(2)O)(2)(2), the coordination cation has crystallographically imposed twofold rotational symmetry. The Cu(II) ion is five-coordinated by two N and two O atoms from the macrocylic ligand and one O atom from a water mol-ecule, forming a square-pyramidal N(2)O(3) geometry with the water mol-ecule in the apical position. The distance between the two Cu(II) atoms is 3.0930 (5) Å. Hydrogen bonds between water mol-ecules and between water mol-ecules and perchlorate anions assemble two cations and four anions into discrete supermolecules of S(4) symmetry. Intramolecular O-H⋯N hydrogen bonds are also observed. The perchlorate anion and the tert-butyl group are disordered over two positions, with occupancies of the major positions of 0.527 (11) and 0.592 (9), respectively.
在双核标题配合物Cu₂(C₃₀H₃₈N₄O₂)(H₂O)₂₂中，配位阳离子具有晶体学上的二重旋转对称性。Cu(II)离子由大环配体的两个N原子、两个O原子以及一个水分子的O原子五配位，形成一个四方锥型的N₂O₃几何构型，其中水分子处于顶端位置。两个Cu(II)原子之间的距离为3.0930 (5) Å。水分子之间以及水分子与高氯酸根阴离子之间的氢键将两个阳离子和四个阴离子组装成具有S₄对称性的离散超分子。还观察到分子内的O—H⋯N氢键。高氯酸根阴离子和叔丁基在两个位置上无序，主要位置的占有率分别为0.527 (11)和0.592 (9)。
