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Figure 4 Single-crystal X-ray structure (top view) of 1. The thermal ellipsoid plot of 1 is at a 50% probability level. All disordered atoms of the MC are shown. The metallacrown is disordered over two mutually exclusive sites by a non-crystallographic twofold axis. The refined occupancy ratio is 0.6215 (6) to 0.3785 (6). All copper atoms are labeled. Hydrogen atoms, the DMF molecules, and the lattice TEA have been omitted for clarity (symmetry operator (i): −x + 1, −y + 1, −z + 1). |