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Metal-organic frameworks（MOFs） as a crystalline porous material, due to its large specific surface area and porosity, has shown potential application in many fields such as gas adsorption and separation, catalysis, removal of harmful macromolecules, etc[1]. However, their structural prediction design and stability improvement are still a problem that restricts their applications [2]. We successfully synthesized a series of Zr-MOF named PCN-206, 207, 208. First, the modulating linkers will affect the coordination of linkers and/or clusters, which will affect the final structure and the phase purity, we obtained the（4,10）-connected PCN-207 with flu topology and PCN-206 in scu topological configuration by adjusting the mount of benzoic acid. In addition, the introduction of ancillary ligands will also affect the configuration and functionality of the crystal. Based on the length of the ligand and the distance between the nodes in the obtained crystal structure, together with the flexibility of the ligand, we successfully inserted the BDC and NDC into the PCN-207 and inserted the FA into the PCN-206 to obtain（4,10）-connected PCN-206-FA, PCN-207-BDC, PCN-207-NDC. By changing the amount of the ancillary ligand NDC, it is also possible to form a（4,12）-connected PCN-208-NDC, which is sufficient to see the criticality of the ancillary ligand variable. Subsequently, we performed PPCPs（pharmaceuticals and personal care products） removal experiments on the PCN-206, 207, 208 series. PCN-206 series has very good removal ability, which is closely related to the smooth channel structure in its scu topological configuration.