Crystals of the tetraphenylphosphonium N,N-dimethyldithiocarbamate dihydrate (C₂₇H₃₀NO₂PS₂; F.W. = 495.6) are monoclinic; P2₁/n; a = 13.349(6), b = 20,968(6), c = 9.800(4) Å, β = 109.01(3)°; Z = 4; V = 2593.4(16) Å^3; Dₓ = 1.269 gcm- 3 . Data were collected at ambient temperature using MoKα radiation (λ = 0.71069 Å).F(000) = 1048, linear absorption coefficient, n = 2.80 cm- 1. The structure was solved by direct methods and subsequently refined by full matrix least squares techniques. Final R value = 0.064 for 1 61 0 reflections and 298 varied parameters. Due to the nature of the cation, interactions between the tetraphenylphosphonium group and the sulfur atoms of the anion are absent, unlike previous dimethyldithiocarbamate structures (Na+, Cs+, TI+). Intermolecular interactions between the waters of hydration and the anion are present.
Draganjac, Mark; Minick, David; and Holt, Elizabeth M.
"Comparison of the Molecular Structures of Monovalent Cation Salets of N,N-Dimethyldithiocarbamate. Novel Synthesis and Crystal Structure of (Phi4)(S2CN(CH3)2)2H2O,"
Journal of the Arkansas Academy of Science: Vol. 44
, Article 11.
Available at: http://scholarworks.uark.edu/jaas/vol44/iss1/11