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. Author manuscript; available in PMC: 2018 Oct 30.
Published in final edited form as: J Am Chem Soc. 2018 Sep 4;140(36):11153–11157. doi: 10.1021/jacs.8b05780

Figure 4.

Figure 4.

(Upper) Structure of activated PCN-81. (Lower) CD4 adsorption in PCN-81 as determined by powder neutron diffraction. (Left) At low loading three sites in the Cu12(cdc)12 portion of the structure are populated. (Right) Up to 4.0 CD4/Cu, methane exclusively resides in the octahedral cage. With 12 Cu2+ ions per cage, this results in a cage capacity of 49 methane molecules.