首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Diaqua­(26-dihy­droxy­benzoato-κ2 O 1 O 1′)bis­(26-dihy­droxy­benzoato-κO 1)bis­(110-phenanthroline-κ2 NN′)lanthanum(III)–110-phenanthroline (1/1)
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Diaqua­(26-dihy­droxy­benzoato-κ2 O 1 O 1′)bis­(26-dihy­droxy­benzoato-κO 1)bis­(110-phenanthroline-κ2 NN′)lanthanum(III)–110-phenanthroline (1/1)

机译:透水(26-dihydroxybenzoato-κ2) Ø 1个 O 1)双(26-二羟基苯并-κO) 1)之二(110-菲咯啉-κ2) NN)镧(III)–110-菲咯啉(1/1)

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摘要

In the title compound, [La(C7H5O4)3(C12H8N2)3(H2O)2]·C12H8N2, the LaIII atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, four O atoms from three 2,6-dihy­droxy­benzoate (DHB) anions (one monodentate, the other bidentate) and two water O atoms, completing a distorted LaN4O6 bicapped square-anti­prismatic geometry. Within the mononuclear complex mol­ecule, intra­molecular π–π stacking inter­actions are observed, the first between a coordinated phen mol­ecule and a DHB ligand [centroid–centroid distance = 3.7291 (16) Å], and the second between a coordinated phen mol­ecule and an uncoordinated phen ligand [centroid–centroid distance = 3.933 (2) Å]. Inter­molecular π–π stacking is observed between adjacent complexes [inter­planar distance = 3.461 (3) Å]. Intra- and inter­molecular O—H⋯O hydrogen bonds are observed in the DHB ligands and between a water mol­ecule and DHB ligands, respectively. O—H⋯N hydrogen bonds are also observed in the DHB ligands and between uncoordinated phen mol­ecules and aqua ligands.
机译: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)的四个N原子配位)配体中,由三个3,2,6-二羟基苯甲酸酯(DHB)阴离子(一个单齿,另一个二齿)和两个水O原子组成的四个O原子,构成了扭曲的LaN4O6双峰方形反棱角几何形状。在单核复杂分子中,观察到分子内π-π堆积相互作用,第一个在配位的phen分子和DHB配体之间[质心-质心距离= 3.7291(16)Å],第二个在配位的phen分子与不配位的分子之间phen配体[质心-质心距离= 3.933(2)Å]。在相邻的配合物之间观察到分子间π-π堆积[平面间距离= 3.461(3)]。在DHB配体中以及在水分子和DHB配体之间分别观察到分子内和分子间O-H = O氢键。在DHB配体中以及未配位的phen分子和水配体之间也观察到O-H⋯N氢键。

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