Table 1. Distances in the structures MFM-300(VIII)·xCO2 obtained from single and dual component experiments. Distance d 1 is the distance from O atom of CO2-A to O atom of the framework hydroxy group. Distances d 2 and d 3 are distances between C atom of CO2-A and O atoms of CO2-B, respectively. These interactions are highlighted in Fig. 2, 3 and 5 .
Structure | CO2 pressure (mbar) | d 1 (Å) | d 2 (Å) | d 3 (Å) |
I | 100 | 3.33(1) | 3.69(7) | 3.88(6) |
II | 300 | 3.36(1) | 3.63(6) | 3.90(5) |
III | 500 | 3.38(1) | 3.63(6) | 3.89(5) |
IV | 750 | 3.37(1) | 3.73(4) | 3.85(4) |
V | 1000 | 3.35(1) | 3.67(4) | 3.88(4) |
VI | 300 a | 3.35(2) | 3.60(2) | 3.99(2) |
VII | 500 a | 3.34(2) | 3.73(4) | 3.90(4) |
VIII | 1000 a | 3.37(1) | 3.72(3) | 3.93(3) |
a Indicates the partial pressure of CO2 in the equimolar CO2/N2 mixture.