单核镍(Ⅱ)配合物[Ni(IDB)_2][C_6H_4(OH)COO].ClO_4.CH_3CH_2OH.H_2O的合成和晶体结构

标题配合物是由三齿配体N, N-二(2-苯并咪唑亚甲基)胺(IDB)、Ni(ClO4)2·6H2O与水杨酸钠在乙醇溶液中反应得到的紫色晶体。用X-射线衍射测定了其单晶结构。结果表明,该晶体属三斜晶系,P 空间群,化学式:C41H43ClN10NiO9,Mr = 914.01,a = 11.010(2),b = 13.800(3),c = 15.550(3) 牛 = 100.75(3),?= 102.97(3), = 107.56(3)? V = 2111.3(7) ?,Z = 2,F(000) = 952,Dc = 1.438 g/cm3,(MoK) = 0.591 mm-1,8215个独立可观测点(I>2(I))。最终偏离因子R(I>2(I)):R = 0.0591, wR = 0.1325;R(全部数据): R = 0.1302,wR = 0.1572。结构分析表明,镍(Ⅱ)分别与2个IDB配体中的苯并咪唑的4个氮和胺基的2个氮配位形成畸变的八面体构型。

Synthesis and Crystal Structure of Mononuclear Nickel(II) Complex [Ni(IDB)2][C6H4(OH)COO]·ClO4·CH3CH2OH·H2OCHEN Yan-Guoa,b LIAO Zhan-Rub HU Zong-Qiub

The title complex has been synthesized by the reaction of the ligand IDB (IDB = N, N-bis(benzimidazol-2-ylmethyl) amine) with Ni(ClO4)26H2O and C6H4(OH)COONa in ethanol. The crystal structure has been determined by single-crystal X-ray diffraction. The crystal belongs to triclinic system,space group P with the crystal cell parameters: a = 11.010(2), b = 13.800(3), c = 15.550(3) ? ?= 100.75(3), ?= 102.97(3), ?= 107.56(3), V = 2.1113(7) ?, Z = 2, F(000) = 952, S = 1.008, Dc =1.438 g/cm3, Mr = 914.01 and ?= 0.591mm-1. There are 8215 observed reflections with I≥2?I) and the final R = 0.0591,wR = 0.1325. The nickel (Ⅱ) atom has a distorted octahedral coordination geometry and is six-coordinated by four nitrogen atoms of benzimidazole groups and two amine nitrogen atoms from the ligand IDB.