Table 1.
Selected bond distances (Å) and angles (°) for complexes 1, 2, and 3.
| 1 | 2 | 3 | |
|---|---|---|---|
| Bond Distances (Å) | |||
|
| |||
| Fe-NImid avg | 2.005(5) | 2.036(11) | 2.013(3) |
| N-O avg | 1.166(6) | 1.194(13) | 1.175(5) |
| Fe-NNO avg | 1.694(5) | 1.712(13) | 1.687(4) |
| Fe---Fe (adj) | 5.965 | 6.230 | 6.039 |
| 5.977 | 6.253 | 6.015 | |
| Fe---Fe (cross) | 8.697 | 8.755 | 8.278 |
| 8.183 | 8.898 | 8.761 | |
|
| |||
| Bond Angles (°) | |||
|
| |||
| NImid-Fe-NImid avg | 109.24(17) | 110.72(5) | 104.88(14) |
| NNO-Fe-NNO avg | 114.8(2) | 110.39(5) | 114.15(19) |
| Fe-N-O avg | 166.8(6) | 164.02(11) | 166.9(4) |
| Fe-NImid-CImid avg | 128.9(3) | 133.39(10) | 127.3(3) |
|
| |||
| Avg. Deviation of Fe from Fe4 Square Plane (Å) | |||
|
| |||
| 0.0094 | 0.0145 | 0.0219 | |
|
| |||
| Angle of intersection of Fe4 Square Plane With Imidazole Plane (°) | |||
|
| |||
| 129.8 | 107.8 | 117.5 | |
| 55.7 | 68.5 | 70.3 | |