Table 1.
Selected bond distances (Å) and angles (°) for new tetracoordinate iron(II) complexes.
| Compound | LMeFeiBu(tBuCN) (1) | LMe FeCH2tBu (tBuCN) (2) | LMeFeCl(4-tBupy) (3) a | LtBu FeCl(CH3CN) (4)a | LtBuFe(η2- OTf) (5) |
|---|---|---|---|---|---|
| Fe-X | 2.040(2) | 2.053(2) | 2.237(1), 2.238(1) | 2.222(2), 2.247(2) | 2.131(3) |
| Fe-L′ | 2.163(2) | 2.151(2) | 2.106(2), 2.110(3) | 2.089(6), 2.082(6) | 2.213(3) |
| Fe- N(diketimine) | 2.023(1), 2.026(1) | 2.027(1), 2.029(1) | 2.004(2), 2.007(2) 1.999(2), 2.010(3) |
1.996(5), 2.001(4) 2.000(4), 2.002(5) |
1.959(3), 1.961(3) |
| (N2X)plane···Feb | 0.3680(9) | 0.4737(9) | 0.525(1), 0.522(1) | 0.469(2), 0.534(2) | 0.501(2), 0.404(2) |
| C(Ar)-N-Cα(LMe)c | 119.5(1), 120.8(1) | 121.0(1), 119.0(1) | 120.5(2), 119.5(2) 120.7(3), 119.5(3) |
126.3(5), 125.1(5) | 128.7(3), 125.9(3) |
| N-Fe-N (bite angle) | 92.74(5) | 92.81(5) | 94.5(1), 93.5(1) | 98.0(2), 96.5(2) | 95.6(1) |
| Σ(∠L–Fe–L)d | 646.8(3) | 648.3(3) | 654.7(5), 654.5(5) | 653(1), 657(1) | 658.3(7) |
| ∠(LRFe)–(FeXL′)e | 89.62(4) | 89.96(5) | 89.91(7), 89.63(7) | 88.1(1), 82.2(1) | 84.2(1) |
a
Two independent molecules were found in the unit cell.
b
Minimum distance between iron and the plane formed by the three basal ligands.
c
Angle around the imine nitrogen.
d
Sum of angles around iron.
e
Twist angle between the C3N2Fe plane (iron(II) diketiminate plane) and the FeXL′ plane.