配合物Na_2(4-apyH)_2[CoCl_2(H_2O)_4·(tp)_2]的合成及晶体结构

Crystal structure of a three-dimensional network Na_2(4-apyH)_2［CoCl_2(H_2O)_4·(tp)_2］ assembled via hydrogen bonds

为了研究过渡金属借助氢键引导的自组装,合成了线性刚性配体对二苯甲酸与钴(II)、4-氨基吡啶和水的配合物Na2(4-apyH)2[CoCl2(H2O)4·(tp)2](tpH2=p-phthalicacid,4-apy=4-aminopyridine).并采用X射线衍射法对配合物进行了晶体结构的测定.结果是结构简式C26H30CoN4O12Na2Cl2,相对分子质量Mr=766 35,三斜晶系,空间群为P1,晶胞参数a=7 875(2) A(1 A=10-10m),b=9 818(2) A,c=10 892(2) A,α=77.26(3)°,β=77 31(3)°,γ=84 22(3)°,V=800 1(3) A3,Z=1,Dc=1 590g·cm-3,μ=0 798mm-1,F(000)=393.结果表明:晶体分子中含三维氢键网状结构,每单元中心都以CoCl2O4六配位方式形成八面体构型.

In order to study the configuration of one-, two- and three-dimensional coordination polymers utilizing molecular self-assemblies through complementary hydrogen bonds, the entitled complex was obtained by a reaction of adding aqueous solution of cobalt chloride and 4-aminopyridine to a THF solution of p-phthalic acid. Its structure was determined by X-ray crystallography; The crystal data for the complex were: triclinic, space group P1, Mr=76635 for C26H30CoN4O12Na2Cl2, a=7.875(2)AAU(1AAU=10-10 m),b=9.818(2)AAU,c=10.892(2)AAU,α=77.26(3)°,β =77.31(3)°,γ=8422(3)°,V=800.1(3)AAU3,Z=1, Dc=1.590 g·cm-3,μ=0.798 mm-1,F(000)=393.It is concluded that the neutral coordination units ［CoCl2(H2O)4］ are connected by p-phthalic anions via O…O hydrogen bonds to generate a 3-D hydrogen bond network with the enwrap of the protonated 4-apyH+ cation as guests in its big cavities.