Table 1.
Binding modes of N2H2 tested
| End-on NNH2 | Side-on cis-HNNH |
|---|---|
| Fe2 | Fe2Fe2 |
| Fe3 | Fe3Fe3 |
| Fe4 | Fe4Fe4 |
| Fe5 | Fe5Fe5 |
| Fe6 | Fe6Fe6 |
| Fe7 | Fe7Fe7 |
| Fe2/3 | Fe2Fe3 |
| Fe2/4 | Fe2Fe4 |
| Fe3/4 | Fe3Fe4 |
| Fe5/6 | Fe5Fe6 |
| Fe5/7 | Fe5Fe7 |
| Fe6/7 | Fe6Fe7 |
| Fe2/6(3) | Fe2Fe6(3) |
| Fe2/6(5) | Fe2Fe6(5) |
| Fe3/7(2) | Fe3Fe7(2) |
| Fe3/7(3) | Fe3Fe7(3) |
| Fe4/5(2) | Fe4Fe5(2) |
| Fe4/5(5) | Fe4Fe5(5) |
| Fe2/3/6/7 | Fe2/3Fe6/7 |
| Fe2/6Fe3/7 | |
| Fe2/4/5/6 | Fe2/4Fe5/6 |
| Fe2/6Fe4/5 | |
| Fe3/4/5/7 | Fe3/4Fe5/7 |
| Fe3/7Fe4/5 | |
| Fe2Fe7 | |
| Fe3Fe6 | |
| Fe4Fe6 | |
| Fe2Fe5 | |
| Fe4Fe7 | |
| Fe3Fe5 |
The binding of each N atom is indicated by “Fe” and the number of the ion it binds to. A slash (/) indicates that a N atom binds to several metal ions. All side-on binding modes to two Fe ions had the Fe–Fe and N–N vectors parallel; the FeMo cluster turned out to be too crowded to allow for any transverse side-on binding modes