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Summary of NRVS experimental measurements and DFT calculations.
| Complex | NRVS Experiment | DFT Calculation | |
|---|---|---|---|
| Fe(OEP)(2-MeHIm)] | Powder | Single-crystal | yes |
| Fe(TPP)(2-MeHIm)] | Powder | Single-crystal | yes |
| Fe(TPP)(1,2-Me2Im)] | Powder | yes | |
| Fe(OEP)(1,2-Me2Im)] | Powder | yes | |
| Fe(PPIX)(2-MeHIm)] | Powder | no | |
| Fe(TTP)(1,2-Me2Im)] | Powder | no | |
