Figure 2.

Crystal structure of TTF-CAH₂ form II at RT, calculated from the combined Rietveld refinement of synchrotron and neutron powder diffraction data shown in Figure 1. (a) View approximately from the b-axis showing TTF and CAH₂ stacks made of equally spaced molecules (C: gray, S: yellow, Cl: green, O: red and H: light gray, small spheres). Classical hydrogen-bonding distances between CAH₂ molecules of adjacent columns (as determined by PLATON) are shown with dashed blue lines. (b) The interplanar TTF···TTF and CAH₂···CAH₂ distances within stacks (indicated as dashed gray lines), viewed approximately along the c-axis. Hydrogens are not shown for clarity. Standard uncertainties are indicated between parentheses.