摘要
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.
出处
《黑龙江大学自然科学学报》
CAS
北大核心
2006年第6期806-809,共4页
Journal of Natural Science of Heilongjiang University
基金
黑龙江省骨干教师基金(1054G036)
黑龙江大学校杰出青年基金资助项目
关键词
钙(Ⅱ)配合物
晶体结构
合成
Calcium (Ⅱ) complex
crystal structure
synthesis