Searching for the structures containing only a given number of kinds of ligand 


Algorithm:
  1. Specify the options of the filter Filter/Topology/Ligands as shown below to find the compounds containing only one kind of ligand:



    What are these ligands and what are their coordination types?
    (JOMWAJ with μ2—nicotinato C6H4NO2 [T11]and BEMKEJ10 with cyano CN [B2])

  2. Find all structures containing one or two kinds of ligands: (14 compounds)


Exercise: perform the same analysis to find the structures containing acetato (CH3COO–) ligands. Do all of the ligands have the same coordination type?

Answer: You will find only JAJCUS with acetate-ligands, the coordination types are B2 and B11


  Go to the top