Collect. Czech. Chem. Commun.
1981, 46, 2307-2316
https://doi.org/10.1135/cccc19812307
The crystal and molecular structure of the chloro-bis(pentamethylenedithiocarbamate) iron(III)-chloroform (1 : 1) complex
Viktor Kettman, František Pavelčík and Jaroslav Majer
Department of Analytical Chemistry, Pharmaceutical Faculty, Komensky University, 880 34 Bratislava
Abstract
The crystal and molecular structure of FeCl(S2CN(CH2)5)2CHCl3 were solved by the X-ray structural analysis method and refined to R 0.073 for 1996 observed independent reflections. The compound crystallizes in a space group of symmetry P1 with the following unit cell dimensions: a = 0.6384 (5), b = 1.475 (1), c = 1.1966 (6) nm, α = 86.20 (5), β = 95.24 (6), γ = 97.45 (6)°. The experimentally measured density of the crystals of the substance is 1.60 Mgm-3 and the value calculated for Z = 2 is 1.59 Mgm-3. The basic skeleton structure is formed by the complex molecules forms closed cavities filled with chloroform molecules. The central Fe(III) ion is characterized by a quartet ground state (S = 3/2) and is pentacoordinated by a chlorine atom and 4 sulphur atoms in a tetragonal bipyramidal arrangement. The complex-chloroform interaction depends on formation of a double-branched hydrogen bond of the chloroform proton with two sulphur atoms in the coordination polyhedron.
