Analysis of 2D+2D→3D inclined polycatenation in CAFSUY, [CuL2(NO3)2]·G (L = (μ-1,4-bis(4-pyridyl)butadiyne), G = dichloromethane) 


Algorithm:

1. Go to the CAFSUY record and do the same procedures as in Example 2. You should get an output like follows.





Here there is 2D+2D→3D polycatenation of (201) and (201) two-periodic nets with dihedral angle 77.4°. The planes cross through the line [010].

2. Draw the catenating nets in IsoCryst.



3. Simplify the structure removing the 2-coordinated nodes. Run ADS with the Classification flag checked. You will find that the catenating nets belong to the topological type sql.



4. A more detailed classification could be done running ADS on the fully simplified sql nets obtained in the previous step. This time check also the Max. Ring. giving a value of 10, so only the catenation among rings (excluding the 6-circuits analogues of the 12-circuits above) will be computed.



You see here that there are listed two kinds of possible ring links, only one is Hopf. If you draw them you will see the difference, on the left the 4-4 Non-Hopf, on the right the 4-4 Hopf link:





In the Tint file data window select the following:



Use Select/Translation tool and enter 0,0,-1.



Moreover from the picture we can see that the square intersect diagonal-diagonal (d-d type) and with a bit of practice you can also show that 2 sql are catenated by each 4-ring in one given sql: it follows that the Density of catenation (doc) is 2/2 (This is reflected in the Mult.= 4 of the Hopf links in the table above).



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