Searching for the structures containing complex groups of a specified dimensionality and composition 


Algorithm:

1. Select all structures in database ligands again, open the ADS program and specify the options Dimen, Calc., Save CCF & Ligands and no Central atoms to get the composition of the complex group as a whole:
   
   
   
   
   
   Run ADS.
   ATTENTION! The information on ligands will be replaced by the information on complex groups!
   
   
2. Find the information on the complex groups dimensionality in the Comment tab after the LIGAND keyword (the sign ‘-‘ means that the polymeric moiety does not connected to any other metal atom):
   
   
   
   
3. Find all structures containing 1D (chain) [4 compounds], 2D (layer) [7 compounds] or 3D (framework) [22 compounds] groups using the Ligand Dimensionality option of the Topology/Ligands filter. Use IsoCryst to draw some examples of the groups.
   
   

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