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文章通过X-射线单晶衍射法测得Ag(PPh3)3(CN).(DMF).0.5(H2O)的晶体结构。Ag(PPh3)3(CN).(DMF).0.5(H2O)结晶于三斜晶系,P-1空间群,晶胞参数a=13.561(4),b=13.921(4),c=13.991(4),α=85.380(7)°,β=87.049(7)°,γ=77.149(6)°,V=2 565.1(13)3,C58 H53 AgN2O1.5 P3,Mr=1 002.80,Z=2,Dc=1.298 g/cm3,μ=0.528 mm-1,λ(MoKα)=0.710 73,F(000)=1 038。最终一致性因子R1=0.071 4,wR2=0.206 7基于6 944个可观察衍射点(I>2σ(I))和588个可变参数(w=[σ2(Fo2)+(0.155 0P)2]-1,P=(Fo2+2Fc2)/3,S=1.005,(Δ/σ)max=0.001)。配合物的不对称单元包含了1个Ag(CN)(PPh3)3基团,1个DMF分子和0.5个游离水分子。Ag(CN)(PPh3)3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…π,和分子间作用力,Ag(CN)(PPh3)3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 crystal structure of Ag (PPh3) 3 (CN). (DMF) .0.5 (H2O) was determined by X-ray single crystal diffraction. The crystal structure of Ag (PPh3) 3 (CN). (DMF) .0.5 (H2O) crystallizes in the triclinic system P-1 space group with unit cell parameters a = 13.561 (4) and b = 13.921 = 13.991 4, α = 85.380 (7) °, β = 87.049 (7) °, γ = 77.149 (6) °, V = 2 565.1 (13) 3, C58 H53 AgN2O1.5 P3, Mr = 1 002.80, Z = 2, Dc = 1.298 g / cm3, μ = 0.528 mm-1, λ (MoKα) = 0.710 73, F (000) = 1038. The final concordance factors R1 = 0.071 4 and wR2 = 0.206 7 are based on 6 944 observable diffraction points (I> 2σ (I)) and 588 variable parameters (w = [σ2 (Fo2) + (0.155 0P) 2] -1, P = (Fo2 + 2Fc2) /3, S = 1.005, (Δ / σ) max = 0.001). The asymmetric unit of the complex contains 1 Ag (CN) (PPh3) 3 group, 1 DMF molecule and 0.5 free water molecule. Silver ions in the Ag (CN) (PPh3) 3 group are in a distorted tetrahedral coordination environment and coordinate to three triphenylphosphine ligands and one cyano group. Through the weak π-π, CH ... π, and intermolecular forces, the Ag (CN) (PPh3) 3 groups accumulate with each other to form a three-dimensional compound with one-dimensional pores in the c direction. The free DMF and water molecules are filled In this tunnel.