Fe-tpy small molecule reactivity

doi:10.17605/OSF.IO/2TKE6

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Association between data files and each figure panel in the manuscript is described in the file Fe-tpy_Rxn_NComms_Datalineage.pdf. Data is organized by figure and includes raw exported image files (.txt) and raw exported grid spectroscopy files (.flat) from Omicron Matrix software. Images were processed in WSxM and safed in .stp format showing all image manipulation steps carried out and provides an accessible way to open and view the files. Matlab processing code is provided within the Figure 5 files. Code is provided as-is in the state they were used for analysis. Updated codes may be available from the lab; if interested contact saburke@phas.ubc.ca for info. Additional structure files from the DFT optimizations are provided as well and can be opened in software like Vesta, or any other molecular viewing software that recognizes .cif.

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