Searching for the structures containing complex groups of a specified local topology 


Algorithm:

1. Open Database/Distribution window and click CCF button to obtain the distribution on crystalchemical formulas of the coordination groups.
   
   
   
   Crystal-chemical formula (CCF) is formed of the coordination types of ligands and the symbol of the complexing atom (A) with the stoichiometric coefficients following after ‘)’ symbol. For example the CCF A*B2)3 means that the complex group consists of ligands with the B² coordination and metal atoms in the ratio 3:1.
   
   Select the compounds with the A*B2)3 CCF by clicking Select button.
   
   
2. Close the Distribution window and find the same structures using the Topology/Ligands filter:
   
   
   
   Draw all the structures in IsoCryst and understand why the namely this CCF corresponds to them.

  Go to the top