Simplification of the crystal structure of SAKNAU, 4,4′-bipyridinium tetracyano-platinum. 


Algorithm:

1. Open the database SAKNAU and compute the adjacency matrix using the AutoCN method Domains and standard set of other options:

2. Look at the structure in IsoCryst and find [Pt(CN)4]2– complex groups and bipyridinium cations connected by hydrogen bonds.

3. Simplify the crystal structure to its standard representation. Run ADS and press the Whole Molecule button.

4. Look at the simplified underlying net and be sure that it contains two 4-coordinated nodes corresponding to different molecular groups. Find two interpenetrating 3D nets composing the total structure.


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