Fig. 2. View of propene loaded structure. (a) Local environment of propene inside the channel. (b) Projection view showing propene packing along the crystallographic b axis. Color scheme: calcium (cyan), sulfur (yellow), oxygen (red), carbon (grey), and hydrogen (white). (c) Packing of propene molecules viewed along the crystallographic a axis. The propene molecules are resolved as a single chemical entity. (d) The difference electron density map calculated before assigning the adsorbate; the island of positive electron density represents the propene molecule in the channel (the third C atom is out of plane).