Structural studies of (tetrathiotetracene)2(iodide)3 at room temperature and low temperatures

摘要: (Tetrathiotetracene)2(iodide)3, (TTT)2I3, is metallic and can be crystallized with varying amounts of disorder. The crystal structures highly disordered, h.d., (TTT)2I3 significant lower disorder, l.d., have been solved. For (l.d.) the basic structure, defined primarily by TTT molecules, was refined in space group Cmca. doubled cell, which includes data from strongest diffuse layer line, Pmc21. All iodide sites less than full occupancy, indicating that contents cells vary suggesting presence species such as I3−, I2, I−. structure (h.d.) investigated at room temperature (∼294 °K), 164, 74, 19 °K. At all four temperatures symmetry remains orthorhombic. successfully During slow cooling lines were carefu...