此外，我们利用重结晶得到了催化不同时间的样品单晶 af-1 af-2，

In addition, we obtained the sample single crystal af-1 af-2 with different catalysis time by recrystallization. By comparing the single crystal structure data, the three methanol coordinated at the end of the metal center were gradually replaced by water molecules as the catalyst progressed. The substrate molecule directly contacts the metal, which greatly improves the catalytic activity and efficiency. At the same time, each active site only binds to one substrate molecule, maintaining structural stability during the catalysis process. The cubane core of the catalyzed catalyst remains unchanged, and the coordination mode of the ligand remains unchanged.

In addition, we used recrystration to obtain catalytic sample monocrystalline af-1 af-2 at different times, by comparing monocrystalline structure data with catalysis, the metal center end mating of the three methanol gradually replaced by water molecules, so that the substrate molecules direct contact with metals, greatly improving catalytic activity and efficiency. At the same time, each active bit is combined with only one substrate molecule, which maintains the structural stability during catalysis. The cubicane core of the catalytic catalyst has not changed, nor has the mating pattern of the mating body changed.

In addition, we obtained the sample single crystal AF-1 AF-2 with different time by recrystallization. By comparing the single crystal structure data, the three methanol coordinated at the end of metal center was gradually replaced by water molecules, which made the substrate molecules directly contact the metal, which greatly improved the catalytic activity and efficiency. At the same time, each active site only binds to one substrate molecule, which maintains the structural stability during the catalytic process. The core of cubane and the coordination mode of ligands have not changed.<br>