Zhang Wei
Nanyang Medical College, Nanyang 473061, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1084-5. doi: 10.1107/S1600536812031686. Epub 2012 Jul 18.
The asymmetric unit of the title compound, [Cu(2)Tb(C(7)H(3)NO(4))(3)(C(12)H(8)N(2))(4)]NO(3)·4H(2)O, consists of one-half of the C(2)-symmetric trinuclear coordination cation, one-half of the C(2)-symmetric nitrate anion and two water mol-ecules. In the coordination cation, the Cu(II) atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging-chelating carboxyl-ate group of the pyridine-2,6-dicarboxyl-ate anion, completing a distorted N(4)O(2) octa-hedral coordination environment. The Tb(III) atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate anions forming an N(3)O(6) donor set. The intra-molecular Cu⋯Tb distance of 5.0592 (11) Å indicates weak inter-actions between the Cu(II) and Tb(III) atoms. The coordination cations, nitrate anions and water mol-ecules are connected via O-H⋯O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive π-π stacking inter-actions [centroid-centroid distances = 4.332 (7) and 3.878 (5) Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxyl-ate ligands.
标题化合物[Cu₂Tb(C₇H₃NO₄)₃(C₁₂H₈N₂)₄]NO₃·4H₂O的不对称单元由一个C₂对称三核配位阳离子的一半、一个C₂对称硝酸根阴离子的一半和两个水分子组成。在配位阳离子中,Cu(II)原子由来自两个1,10 - 菲咯啉配体的四个N原子和来自吡啶 - 2,6 - 二羧酸根阴离子的一个桥连螯合羧酸根基团的两个O原子配位,形成一个扭曲的N₄O₂八面体配位环境。位于二重旋转轴上的Tb(III)原子由三个三齿吡啶 - 2,6 - 二羧酸根阴离子九配位,形成一个N₃O₆供体集。分子内Cu⋯Tb距离为5.0592 (11) Å,表明Cu(II)和Tb(III)原子之间存在弱相互作用。配位阳离子、硝酸根阴离子和水分子通过O - H⋯O氢键连接成平行于(001)平面的层。此外,菲咯啉配体之间以及菲咯啉与吡啶 - 2,6 - 二羧酸根配体之间存在广泛的π - π堆积相互作用[质心 - 质心距离 = 4.332 (7) 和3.878 (5) Å]。