A TTF Derivative Acting as a Chelate Ligand: Structure of μ-[Tetra(methylthio)tetrathiafulvalene]di[diodoniercury(II)], (TTM-TTF) (HgI2)2, and the Structure of a Second Modification of Free TTM-TTF

Abstract

Abstract (TTM -TTF)(HgI2)2 [TTM -TTF = tetra(methylthio)tetrathiafulvalene, C10H12S8] was obtained as one of the products of the reaction of TTM -TTF with HgI2 . It is triclinic, P 1̄ , a = 7.667(1), b = 8.308(2), c = 11.608(3) Å , α = 81.42(2), β = 75.15(2), γ = 67.06(2)°, V = 657.2 Å3, Z = 1, Mr = 1297.53, dc = 3.28 g cm-3, final RK = 0.035 for 2755 reflections and 116 parameters. The donor acts as a bridging chelate ligand by coordination of the S atoms of the -SCH , groups to Hg, with Hg -S distances of 3.038(2) and 3.157(3) Å . Hg···I contacts of 3.648(1) and 3.761(1) Å lead to coordination-polymer like chains of the Hg complexes. TTM -TTF (phase II) is triclinic, P 1̄, a = 5.141(2). b = 7.565(3), c = 10.950(2) Å , α = 72.46(2), β = 79.03(2), γ = 84.87(3)°, V = 398.4 Å3, Z = 1, Mr = 388.73, dc = 1.62 g cm-3, final Rw = 0.032 for 1876 reflections and 106 parameters. The molecules form sheets of stacks with shorter interstack S···S contacts [3.591(1) Å] than within the same stack [3.720(1) Å].