Table 2.
Selected Bond Distances (Å) and Bond Angles (deg) for [FeIII(DITpy)2]+ (1), [FeIII(DITIm)2]+ (2), [FeIII(ADIT)2]+ (3), [FeIII(AMIT)2]+ (4)a
| 1 | 2 | 3 | 4 | |
|---|---|---|---|---|
| Distances | ||||
| Fe–S(1) | 2.202(3) | 2.209(2) | 2.200(1) | 2.234(2) |
| Fe–S(2) | 2.189(3) | 2.213(2) | 2.207(1) | 2.231(2) |
| Fe–Nt1 | 2.014(8)b | 2.039(7) | 2.043(3) | 2.054(6) |
| Fe–Nt2 | 2.032(8) | 2.076(7) | 2.059(3) | 2.052(6) |
| Fe–Nim1 | 1.934(8)c | 1.974(7) | 1.938(2) | 1.950(6) |
| Fe–Nim2 | 1.909(8) | 1.978(7) | 1.938(2) | 1.930(6) |
| Angles | ||||
| Nim1–Fe–Nim2 | 179.8(4) | 172.9(3) | 175.7(1) | 178.3(2) |
| S(1) –Fe–S(2) | 100.1(1) | 94.17(9) | 97.3(1) | 95.30(8) |
| S(1) –Fe–Nt1 | 164.1(2) | 175.0(2) | 167.9(1) | 169.2(2) |
| S(2) –Fe–Nt2 | 165.9(2) | 179.3(2) | 168.9(1) | 168.9(1) |
| Nim1–Fe–S(1) | 85.2(2) | 86.5(2) | 84.9(1) | 85.9(2) |
| Nim1–Fe–Nt1 | 82.2(3) | 93.6(3) | 84.2(1) | 84.2(2) |
| Nim2–Fe–S(1) | 94.8(3) | 91.1(2) | 97.9(1) | 95.8(2) |
| Nim2–Fe–S(2) | 86.7(2) | 85.5(2) | 85.7(1) | 87.2(2) |
| Nim2–Fe–Nt1 | 98.1(3) | 89.4(3) | 92.7(1) | 94.2(2) |
| Nim2–Fe–Nt2 | 82.1(3) | 93.8(3) | 84.0(1) | 83.4(2) |
| S(1) –Fe–Nt2 | 89.4(2) | 85.8(2) | 88.3(1) | 90.0(2) |
| S(2) –Fe–Nt1 | 90.4(2) | 90.8(2) | 89.4(1) | 89.4(2) |
| Nt1–Fe–Nt2 | 82.8(3) | 89.2(3) | 87.0(1) | 86.9(2) |
a
Standard deviations in parentheses.
b
t1 = terminal nitrogen number 1, t2 = terminal nitrogen number 2.
c
im1 = imine nitrogen number 1, im2 = imine nitrogen number 2.