Hi, I have few photochromic powder in crystal, and some of them are photochromic, some are not.
I want to correlate the photochromicity with the way of crystal packing. Therefore, I ran a cavity-plt in platon to analyze all my crystals. But all my compounds were planar and closely packed, so 1.2 Ang. radius cavity-plt is not small enough to probe.
However, I found the minimize value available seems to be 1.0 Ang. Cavity(radius[0.9]) command still lead to result of 1.0 Ang. analysis.
In literatures, I think more than 1 group set values < 1.0 for probing (e.g., 10.1039/b606027g).
Do anyone have experience on Platon? Plz. help.
Eventually if cavity-plt is not going well, I might go for "void" instead.
I can see good correlation in void plot and photochromicity, but void plot is always like some mashed surface which is relatively difficult to describe in manuscript, and could be arbitrary sometimes. So, I am still expecting a more clean-cut analysis such as cavity for the correlation.
Thanks in advance.
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