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Zn(H_2O)_4(4-PDC)_2的晶体结构和氢键相互作用

Crystal Structure and Hydrogen Bonding Weak Interactions of Compound Zn(H_2O)_4(4-PDC)_2
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摘要 合成了锌的配合物Zn(H2 O)4 ( 4 PDC)2 [4 PDC) =4 pyridinecarboxylate],经X 射线表征 ,晶体数据 :分子量为 381 .66,三斜晶系 ,空间群P 1 ,a =0 .6342 1 ( 7)nm ,b =0 .691 79( 5 )nm ,c=0 .92 80 2 ( 8)nm ,α =96.2 2 7( 8)°,β =1 0 4 .979( 7)° , =1 1 2 .872 ( 7)° ,V =35 2 .2 7( 6)cm-3 Z =1 ,Dc =2 .1 95gcm-3 ,T =2 93( 2 ) ,λ =0 .0 71 0 73nm ,μ(MoKa) =1 .797mm-1,R1=0 .0 2 1 9,wR2 =0 .0 62 2 .在该配合物中 ,每个Zn(II)离子是六配位的扭曲四角双锥构型 .X -射线单晶结构分析表明 ,该化合物的羧基O和配位水分子O通过O…H—O氢键在链方向上和链之间形成网状结构 . A Zinc complex Zn(H_2O)_4(4-PDC)_2 [4-PDC =4-pyridinecarboxylate] has been synthesized and characterized by X-ray structural analysis,crystal data: M = 381.66,triclinic,space group P-1,a = 0.63421(7)nm,b =0.69179(5)nm, c =0.92802(8)nm,α= 96.227(8)°,β= 104.979(7)°,γ = 112.872(7)°,V = 352.27(6)cm -3 Z =1,Dc=2.195g cm -3 ,T = 293(2),λ = 0.071073nm,μ(MoKa) = 1.797 mm -1 ,R_1= 0.0219,wR_2=0.0622. Each Zn(II) ion is a hexacoordinated with a distorted tetragonal-bipyramidal geometry,A X-ray crystal study indicated that a two-dimensional hydrogen-bond network is formed in the complex on direction of chain and interchain by means of O...H-O hydrogen bonding.
作者 姚景才 赵喆
出处 《洛阳师范学院学报》 2004年第2期63-66,共4页 Journal of Luoyang Normal University
关键词 吡啶-4-甲酸 配合物 晶体结构 氢键 pyridine-4-formic acid complex crystalline structure hydrogen bond
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