Preparation and x-ray crystal and molecular structure of cis-[(dppp)Pd(H2O)(OSO2CF3)] +(OSO2CF3)- and cis-[(dppp)Pd(H2O)2]2+(OSO2CF 3)-2. Coordinated water-triflate hydrogen bonds

Article abstract of DOI:10.1021/om00003a012

Reaction of 1 and 2 equiv of water, respectively, with cis-(1,3-bis(diphenylphosphino)-propane)palladium(II) triflate yields the corresponding monoaquo and diaquo cationic Pd complexes 2 and 3 in 86% and 99% yield respectively, as yellow, air-stable, microcrystalline solids. The molecular structures of [(dppp)Pd(OH₂)(OSO₂CF₃)₂], (2) and [(dppp)Pd(OH₂)₂(OSO₂-CF₃) ₂], (3) have been determined by single-crystal X-ray crystallography. Complex 2 crystallizes in the monoclinic space group P2₁/n with Z = 4, a = 13.857(5) ?, b = 13.335(5) ?, c = 19.054(8) ?, β = 102.98(2)°, R = 0.0461, and R_w = 0.0614 at 298 K. Complex 3 crystallizes in the triclinic space group P1 with Z = 2, a = 11.440(1) ?, b = 11.800(1) ?, c = 14.269(1) ?, α = 95.66(1)°, β = 94.49(1)°, γ = 109.15(1)°, R = 0.0301, and R_w = 0.0467 at 298 K.