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. 2017 Apr 19;8(6):4387–4398. doi: 10.1039/c7sc00449d

Fig. 3. A portion of the crystal structures of Co2(dobdc)·0.58CO at 90 K, Co2(dobdc)·2.9CO2 at 150 K,29 Co2(dobdc)·5.9O2 at 100 K, Co2(dobdc)·3.8N2 at 100 K, Co2(dobdc)·2.0CH4 at 100 K, Co2(dobdc)·2.0Ar, and Co2(dobdc)·1.3P4 at 100 K viewed along the c axis, as determined by single-crystal X-ray diffraction; purple, red, gray, blue, light blue, light orange, and white spheres represent Co, O, C, N, Ar, P, and H atoms, respectively. Note that the O2 molecules bound to the CoII sites in Co2(dobdc)·5.9O2 were found to be disordered over two orientations with relative occupancies of 73(3)% and 27(3)% (Fig. S8), but only one of these orientations (73(3)% occupancy) is shown for clarity. In the structure of Co2(dobdc)·1.3P4, the P4 molecules were found in two positions (Fig. S10), one with P4 molecules coordinated to the CoII sites (45.5(10)% occupancy) and another 3.88(3) Å away from the CoII sites centers (20.6(10)% occupancy), but only the coordinated P4 molecules are shown for clarity. The structure of Co2(dobdc)·2.9CO2 has been reported previously29 and is shown here to facilitate comparisons.

Fig. 3