Urease inhibitors (UIs) and nitrification inhibitors (NIs) can greatly reduce nitrogen loss in agriculture soil. However, design and synthesis of an efficient and environmentally friendly dual-functional inhibitor is still a great challenge. Herein, four metal-organic salts (MOSs) based on heterogeneous conformations of the ligand N 1 , N 1 , N 2 , N 2 -tetrakis(2-fluorobenzyl)ethane-1,2-diamine (L), namely, [2H L ] 2+ ·[MCl 4 ] 2- (M = Cu, Zn, Cd, and Co), have been synthesized by the "second sphere" coordination method and structurally characterized in detail. Single crystal X-ray diffraction (SCXRD) analyses reveal that the four MOSs are 0D supramolecular structures containing [2H L ] 2+ and [MCl 4 ] 2- , which are connected through non-covalent bonds. Furthermore, the urease and nitrification inhibitory activities of MOSs are evaluated, showing excellent nitrification inhibitory activity with the nitrification inhibitory rate as high as 70.57% on the 28 th day in soil cultivation experiment. In particular, MOS 1 shows significant urease inhibitory activity with half maximal inhibitory concentration (IC 50 ) values of 0.89 ± 0.01 μM (0.5 h) and 1.87 ± 0.01 μM (3 h), which can serve as a dual-functional inhibitor.