The crystal structure of the ethanedithiolate complex [(n-C4H9)4N]2[Fe(edt)2]2 (edt = ethane-1,2-dithiolate) has been determined from 1609 independent reflections collected by counter methods. The black crystals are monoclinic, space group P21/c, with a = 10.065 (4), b = 16.705 (7), c = 16.28 (1) Å, and β = 93.30 (2)°. The measured density was 1.21 ± 0.03 g/cm3 which agrees with the calculated density of 1.173 g/cm3 for Z = 4. The absorption corrected data gave a conventionalR factor of 0.056 on full-matrix, least-squares refinement. The anions are tightly bound centrosymmetric dimers. Bridging ethanedithiolate sulfur atoms give rise to a planar and nearly square Fe2S2 ring. TheFe-Fe' distance in this ring, 3.410 (3) Å, is considered too long for direct metal-metal bonding. Each iron is five-coordinate and has four nearly equal Fe-S distances with a mean of 2.442 (10) Å. The fifth or bridging Fe-S distance is 2.503 (3) Å. The coordination about iron can be described as distorted trigonal bipyramidal. The tetra-n-butylammonium cation has four ordered trans chains and overall idealized symmetry D2d.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry