1,1,1-三[3-(2-苯并咪唑基)-2-氧杂丙基]丙烷镍配合物合成及结构测定

Synthesis and Structure Determination of the Complex of 1,1,1-Tris(3-(2-benzimidazole)-2-oxa-propyl)propane with Nickel Nitrate

合成了一个新的三脚架结构配体及其镍配合物的晶体 .该晶体属单斜晶系 ,P2 1 n空间群 ,a =1.2 15 1(4)nm ,b=1.5 5 35 (5 )nm ,c =2 .174 0 (7)nm ,β =90 .5 5 1(18)°,V =4 .10 3(2 )nm3,Z =4 ,Mr =834.0 3,R =0 .0 5 5 6 ,wR =0 .12 5 6 ,μ =0 .5 4 1mm- 1 ,F(0 0 0 ) =175 8.配合物中Ni与配体的三个N和三个O构成六配位变形八面体结构 .晶体中存在着分子间氢键 。

A new tripodal ligand, 1, 1, 1-tris (3-(2-benzimidazole)-2-oxa-propyl) propane (L), and its complex with Ni(NO3)(2) have been synthesized, and its crystal structure was determined by single-crystal X-ray structure analysis. The crystal belongs to monoclinic system, P2(1)/n space group with a = 1.2151(4) nm, b = 1.5535(5) nm, c = 2.1740(7) mn, beta = 90.551(18)degrees, V = 4.103(2) nm(3), Z = 4, M-r = 834.03, R = 0.0556, wR = 0.1256, mu = 0. 541 mm(-1), F(000) = 1758 for 7091 unique reflections. The complex cation [NiL](2+) has a distorted octahedral geometry. Each cation is formed through six coordinations to Ni2+ of all three pairs of oxygens and nitrogens from the ligand.