文章通过x-射线单晶衍射法测得Ag(PPh3)3(CN)·(DMF)·0.5(H:O)的晶体结构。Ag(PPh]),(CN)·(DMF)·0.5(H,O)结晶于三斜晶系,P-1空间群,晶胞参数a=13.561(4)A,b:13.921(4)A,c=13.991(4)A,d=85.380(7)^。,β=87.049(7)。,Y=77.149(6)。,V=2565.1(13)A’,C58H53AgN2015P3,M,=1002.80,z=2,D。=1.298g/em。,μ=0.528mm-。,A(MoK。)=0.71073A,F(000)=1038。最终一致性因子R。=0.Cr714,wR2=0.2067基于6944个可观察衍射点(,〉200(1))和588个可变参数(w=[o^2(F2)+(0.1550P)2]^-1,P=(F^2+2F^2)/3,s=1.005,(A/o-)max=0.001)。配合物的不对称单元包含了1个Ag(CN)(PPh,)3基团,1个DMF分子和0.5个游离水分子。Ag(cN)(PPh,),基团中银离子处于变形的四面体配位环境中,与3个三苯基膦配体和1个氰基配位。通过弱的π-π,c.H…1T,和分子间作用力,Ag(CN)(PPh3),基团互相堆积形成了一个在C方向具有一维孔道的三维化合物,游离的DMF和水分子填充在此孔道中。
The title compound, Ag ( PPh3 ) 3 (CN) · ( DMF ) · 0.5 ( H20 ), crystallizes in triclinic, space group P-1 with a = 13. 561 (4) A., b=13.921(4) A, c=13.991(4) A, ct=85.380(7), /3=87.049(7), 3/=77. 149(6), V=2565.1(13) A3, Dc = 1.298 g/cm3, Z=2, CssHs3AgN2O1.sP3, Mr =1 002.80,/x=0.528 mm-1, A(MoK) =0.710 73 A and F(000) =1 038. The final R1 =0. 071 4 and wR2 = 0. 206 7 for 6 944 observed reflections ( I 〉 2o'(I) ) with 588 variable parameters ( w = [ o-2 ( Fo2 ) + (0. 155 0P)21-t, P = (Fo2 + 2Fc2)/3) , S = 1. 005, (A/o-) = 0. 001 ). The largest peak and hole on the final difference Fourier map were 1. 192 and -0. 503 e A-3, respectively. The compound comprises a separated Ag (CN) (PPh3 )3 moiety, one isolated N, N·dimethylformamide (DMF) solvent molecule, and a half water molecule in the crystallographic asymmetric unit. The silver cation in the Ag(CN) (PPhz )3 moiety locates in a distorted tetrahedral coordination environment, and is coordinated by three triphenylphosphor ( Ph3 P) ligands and one cyanide group. The Ag (CN) ( PPh3 ) 3 moieties stack together via weak π-π, C-H"-w, and intermolecular interactions to form a 3-D structure with a 1-D channel along the c direction, in which the DMF and water molecules locate.