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Total metal and ligand hole character (%) in the redox-active molecular orbital of the [Mo(mdt)3]z and [Mo(bdt)3]z complexes. Sulfur character is listed in parentheses.
| Metal | Ligands | |
|---|---|---|
| [Mo(mdt)3]1- | 0 | 100 (67) |
| [Mo(mdt)3] | 30 | 170 (110) |
| [Mo(bdt)3]1- | 61 | 39 (22) |
| [Mo(bdt)3] | 47 | 153 (98) |
