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Single photoswitchable molecules of (CN3H6)2[Fe(CN)5NO] (GuNP) are embedded into nanopores of an SiO2 xerogel. It is shown that it is possible to identify the structural motif (`fingerprint') of the embedded complex by analyzing neutron powder diffraction data in a limited Q range (Q < 37 nm−1) using the Debye approach. The structural study reveals that the pores are occupied by GuNP monomers with a fill factor of 60–80%. The mutual arrangement of the anion and cations in the GuNP monomer is slightly changed (∼1% elongation), while the bond lengths within the anion and cation are changed by less than 0.2% with respect to the single-crystalline form of GuNP.

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