Cai Yaling, Dong Weiqin, Jin Hongxiao
College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):m1610-1. doi: 10.1107/S1600536810047318.
In the title compound, [La(C(7)H(5)O(4))(3)(C(12)H(8)N(2))(3)(H(2)O)(2)]·C(12)H(8)N(2), the La(III) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, four O atoms from three 2,6-dihy-droxy-benzoate (DHB) anions (one monodentate, the other bidentate) and two water O atoms, completing a distorted LaN(4)O(6) bicapped square-anti-prismatic geometry. Within the mononuclear complex mol-ecule, intra-molecular π-π stacking inter-actions are observed, the first between a coordinated phen mol-ecule and a DHB ligand [centroid-centroid distance = 3.7291 (16) Å], and the second between a coordinated phen mol-ecule and an uncoordinated phen ligand [centroid-centroid distance = 3.933 (2) Å]. Inter-molecular π-π stacking is observed between adjacent complexes [inter-planar distance = 3.461 (3) Å]. Intra- and inter-molecular O-H⋯O hydrogen bonds are observed in the DHB ligands and between a water mol-ecule and DHB ligands, respectively. O-H⋯N hydrogen bonds are also observed in the DHB ligands and between uncoordinated phen mol-ecules and aqua ligands.
在标题化合物[La(C₇H₅O₄)₃(C₁₂H₈N₂)₃(H₂O)₂]·C₁₂H₈N₂中，La(III)原子由来自两个螯合的1,10 - 菲咯啉（phen）配体的四个N原子、来自三个2,6 - 二羟基苯甲酸根（DHB）阴离子（一个单齿，另一个双齿）的四个O原子以及两个水分子的O原子配位，形成一个扭曲的LaN₄O₆双帽方反棱柱几何构型。在单核配合物分子内，观察到分子内π - π堆积相互作用，第一种是在一个配位的phen分子和一个DHB配体之间[质心 - 质心距离 = 3.7291 (16) Å]，第二种是在一个配位的phen分子和一个未配位的phen配体之间[质心 - 质心距离 = 3.933 (2) Å]。在相邻配合物之间观察到分子间π - π堆积[平面间距离 = 3.461 (3) Å]。分别在DHB配体中以及在一个水分子和DHB配体之间观察到分子内和分子间的O - H⋯O氢键。在DHB配体中以及在未配位的phen分子和水合配体之间也观察到O - H⋯N氢键。
