Fig. 3. View of n-hexane loaded structure. (a) Packing along the crystallographic b direction showing the location of n-hexane. Color scheme: calcium (cyan), sulfur (yellow), oxygen (red), carbon (grey), and hydrogen (white). (b) Packing of n-hexane molecules viewed along the crystallographic a direction; the hexane molecules can't be resolved as a single chemical entity. (c) The difference electron density map calculated before assigning the adsorbate, showing a continuous electron density ribbon along the channel.