三元混配的钙配合物[Ca(NO_3)(Phen)_2(H_2O)_2](NO_3)的合成与晶体结构研究

Synthesis and crystal structure of a novel calcium complex [Ca(NO_3)(Phen)_2(H_2O)_2](NO_3)

合成了一个新的三元混配配合物[Ca(NO3)(Phen)2(H2O)2](NO3)(Phen=邻菲罗啉),并对其进行了元素分析和单晶X射线的结构表征。结果表明:配合物晶体属三斜晶系,空间群为P1,晶胞参数为a=0·75804(15)nm,b=0·94977(19)nm,c=1·7642(4)nm,α=75·19(3)°,β=82·69(3)°,γ=87·02(3)°。V=1·2178(5)nm3,Z=2,Mr=560·54,Dc=1·529g/cm3,μ=0·321mm-1,F(000)=580,最终R=0·0678,wR=0·1611。在配阳离子[Ca(NO3)(Phen)2(H2O)2]+中,钙(II)原子与两个不同邻菲罗啉中的4个氮原子、硝酸根的2个氧原子以及两个水分子配位,且形成了八配位扭曲的反四棱柱配位构型。相邻分子间氢键和邻菲罗啉环之间的π—π作用使得配合物构筑成了一个三维的超分子网络结构。

A novel calcium complex,[Ca（NO3）（Phen）2（H2O）2]（NO3） （ Phen = phenanthroline ） was synthesized and characterized by the element analysis and single crystal X -ray diffraction. The title complex crystallizes in triclinic with space group P^-1,a = 0. 75804 （ 15 ） nm, b = 0. 94977 （ 19 ） nm, c = 1. 7642 （4） nm, α=75.19（3）°,β=82.69（3）°,γ=87.02（3）°.V=1.2178（5）nm^3,Z=2, R =0.0678, wR =0. 1611. The calcium （Ⅱ） atom is eight - coordinated by four nitrogen atoms from two different phenanthroline ligands, two oxygen atoms from nitrate anion and two coordinated water molecules, forming a distorted anti -quadrangular geometry. The nitrate group acts as counter anion. An extended 3 - D supramolecular network is formed through hydrogen bonds and weak π-π stacking interactions.