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以2,4-二氯苯氧乙酸(2,4-DAA.)和1,10-邻菲哆啉为原料通过溶剂热反应合成了化学合物[Co(2,4-DAA)_2(H_2O)_4]·(H_2O),并测定了它的晶体结构。该晶体属单斜晶系,空间群P2(1)/n,晶胞参数为:a=0.67536(16)nm,b=0.53000(12)nm,c=3.3456(8)nm,β=92.430(4)°,V=1.1964(5)nm~3,D=1.685 g/cm~3,Z=2,F(000)=618。最终偏离因子R_1=0.0500,wR_2=0.0842。化合物中2个2,4-二氯苯氧乙酸的2个氧原子及4个水分子与Co(Ⅱ)配位,形成了六配位的变形八面体结构。结合晶体结构数据进行了量子化学计算。
The chemical compound [Co (2,4-DAA) 2 (H 2 O) 2 was synthesized by solvothermal reaction using 2,4-dichlorophenoxyacetic acid (2,4- ) _4] · (H_2O), and its crystal structure was determined. The crystal belongs to the monoclinic system with space group P2 (1) / n with unit cell parameters of a = 0.67536 (16) nm, b = 0.53000 (12) nm, c = 3.3456 (8) nm and β = 92.430 4) °, V = 1.1964 (5) nm ~ 3, D = 1.685 g / cm ~ 3, Z = 2 and F (000) = 618. The final deviation factor R_1 = 0.0500, wR_2 = 0.0842. Two oxygen atoms and two water molecules of two 2,4-dichlorophenoxyacetic acids coordinated with Co (Ⅱ) to form a hexa-coordinated deformed octahedral structure. Quantum chemistry calculation based on crystal structure data.