合成了一个双核钙配合物{[Ca2(μ3-HMIA2-)(μ5-HMIA2-)(H2O)]·H2O)n(1,H3MIA=2-甲基咪唑-4,5-二羧酸),并用元素分析、红外光谱和X-射线单晶衍射等对其进行了表征.结构分析表明,1属单斜晶系,P21/c空间群,晶胞参数为a=0.860 67(11) nm,b=1.656 5(2) nm,c=1.269 24(16) nm,β=108.005 0(10)°,V=1.720 9(4) nm3,C12H10Ca2N4O10,Mr=450.40,Z=4,Dc=1.728 g.cm-3,F(000)=920,μ=0.727 mm-1,S=1.041,λ(Mo Kα)=0.071 073 nm,R=0.026 0 and wR=0.063 8.在1晶体结构中,每个钙(Ⅱ)离子都是7配位的,但展现2个不同的配位环境.4个μ3-HMIA2-配体,2个μ5-HMIA2-配体和8个钙(Ⅱ)离子形成一个平行六面体结构[Ca8(μ3-HMIA)4(μ5-HMIA)2]4+.5-HMIA2-配体采用独特的配位模式并连接周围的平行六面体结构形成一维链结构,配体μ3-HMIA2-连接相邻的一维链形成一种新的蜂窝型的二维层状结构,相邻的二维层通过μ3-HMIA2-配体的2个氧原子进一步形成一个三维结构.还研究了配合物1的热重分析和抑菌活性.CCDC:869134.%The title complex {[Ca2(μ3-HMIA2-) (μ5-HMIA2-) (H2O)] · H2O}n (1,H3MIA =2-methyl-1H-imidazole-4,5-dicarboxylic acid) was synthesized by hydrothermal synthesis and characterized by elemental analysis,infrared spectroscopy,and single-crystal X-ray diffraction.Compound 1 crystallizes in monoclinic system,space group P21/c with a=0.860 67(11) nm,b=1.656 5(2) nm,c=1.269 24(16) nm,β=108.005 0(10)°,V=1.720 9(4) nm3,C12H1oCa2N4O10,Mr=450.40,Z=4,Dc=1.728 g·cm-3,F(000)=920,μ=0.727 mm-1,S=1.041,λ(Mo Ko)=0.071 073nm,R=0.026 0 and wR=0.063 8 for 3 211 observed reflections (I＞2σ(Ⅰ)).Compound 1 is a unique binuclear Ca(Ⅱ)parallelepiped MOFs,two Ca(Ⅱ) cations are seven-coordinated,but show different coordination environments.Four μ3-HMIA2-,twoμs-HMIA2-and eight Ca(Ⅱ) ions form a molecular parallelepiped of [Ca8(μ3-HMIA)4(μ5-HMIA)2]4+.The p5-HMIA2-ligand adopts a unique coordination mode and links the neighboring parallelepipeds to form onedimensional chain.The μ3-HMIA2-ligand links the neighboring one-dimensional chains to yield a twodimensional honey comb-like network layer architectures,which are further linked through two carboxlate oxygen atoms from μ3-HMIA2-ligand to generate a three-dimensional MOFs.Thermal gravimetric analysis and antibacterial activities of complex 1 were also studied.CCDC:869134.
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