Supplementary data as part of the article "Comparing the reaction profiles of single-iron catalytic sites in enzymes and in reticular frameworks for methane-to-methanol oxidation" (https://doi.org/10.1016/j.xcrp.2023.101422)

Cartesian coordinates in the *.XYZ format for all the structures optimized at the M06-L/def2-TZVP in the reactivity study as part of the article "Comparing the reaction profiles of single-iron catalytic sites in enzymes and in reticular frameworks for methane-to-methanol oxidation" (https://doi.org/10.1016/j.xcrp.2023.101422)