Fig. 1

A representation of MOF-CoNDI-py-2 crystal structure including its unit cell obtained by single-crystal XRD. Pink = cobalt, grey = carbon, white = hydrogen, blue = nitrogen and red = oxygen. The unit cell belongs to a C2/c monoclinic space group, water was modelled at 1/4 occupancy and its hydrogens are not shown for clarity. The structure shows the NDI-py molecules oriented in a layered fashion. The distances between NDI-py entities are 9.43 Å along the c-axis, 9.57 Å along the b-axis and 11.10 Å through the metal cluster