Table 1.
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) |
Two independent molecules were found in the unit cell.
Minimum distance between iron and the plane formed by the three basal ligands.
Angle around the imine nitrogen.
Sum of angles around iron.
Twist angle between the C3N2Fe plane (iron(II) diketiminate plane) and the FeXL′ plane.