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Figure S4: 1 H NMR spectrum (400 MHz, methanol-d4, 25°C) for 4,4'-(2-nitrobenzene-1,4- diyl)bis(3,5-dimethyl-1H-pyrazole) (NO2-H2-bdpb).  

Figure S4: 1 H NMR spectrum (400 MHz, methanol-d4, 25°C) for 4,4'-(2-nitrobenzene-1,4- diyl)bis(3,5-dimethyl-1H-pyrazole) (NO2-H2-bdpb).  

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Figure 1: Schematic representation of selected parts of the crystal...
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... The local environments of the four FeO 6 octahedra in the high-pressure structure show three different H-bonding interactions ( Figure S9), which would agree well with the refinement of four sites to fit the Mossbauer spectrum with two doublets having very similar parameters. Refinement of a threesite Fe model at 7.2 GPa is consistent with the three different Fe environments at 50, 25, and 25% areas (refined at 53(4), 24(4), 22(2)%) but deviates at higher pressure (41(6), 33 (5), and 26(3)%) ( Figure S8). As these Mossbauer data do not have enough constraints for so many parameters in the case of multiple Fe sites, we concentrate on fitting the HP spectrum with a two-site Fe model, which has the least number of parameters. ...
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