Searching for all structures containing ligands of a specified composition and/or coordination type 


Algorithm:

1. Specify the options of the filter Filter/Topology/Ligands as shown below to find all compounds containing the ligands of the C10H8N2 composition: (5 compounds)
   
   
   
   What ligands have this composition? Do all of them have the same coordination type?


2. Find all structures containing bridge (µ₂) C10H8N2 ligands of the B² coordination type:
   
   
   
   Is the number of these structures equal to the number of hits at the previous step? (4 compounds)


3. Specify two bidentate coordination types (B² and B⁰¹) for C10H8N2 ligands:
   
   
   
   What does the B⁰¹ coordination type mean? Use IsoCryst to check on your answer. (5 compounds)


4. Find all structures containing bridge µ₂ ligands with the following options (they are 2):
   
   
   
   Analyze what coordination types can correspond to the µ₂ ligands.


5. Find all structures containing disordered ligands with the following options (7 compounds):
   
   
   
   What ligands are disordered and how? Use IsoCryst to answer the question. The disordered ligands are marked by ‘*’ in the Comment tab of the Crystal Data window:
   
   

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