Ab Initio Powder Diffraction Structure Analysis of a Host–Guest Network: Short Contacts between Tetrathiafulvalene Molecules in a Pore

Synchrotron powder XRD analysis was used to solve the crystal structure of a kinetically controlled coordination network including tetrathiafulvalene (TTF) guests, which has a large unit cell (15 729(1) Å3). Very short S⋅⋅⋅S contacts among the TTF guests were achieved by confinement in the network pores (see picture).