Table 2.
Selected Bond Lengths, Bond Angles, and Iron Displacements for [Fe(OEP)(CS)(L)] Derivatives.
| [Fe(OEP)(CS)(L)]
|
||||||
|---|---|---|---|---|---|---|
| L = | —a | 1-MeIm | Py(1) | Py(2) | Py(3) | CH3OH |
| Fe–N(1)b | 1.981(3) | 2.002(3) | 2.0034(15) | 2.0048(8) | 2.000(2) | 1.992(2) |
| Fe–N(2)b | 1.989(3) | 1.996(3) | 2.0050(15) | 2.0043(14) | 1.998(2) | 1.994(2) |
| Fe–N(3)b | 1.979(3) | 2.000(3) | 2.0072(16) | 2.0039(14) | – | – |
| Fe–N(4)b | 1.980(2) | 2.006(3) | 2.0048(14) | 2.0108(14) | – | – |
| (Fe–Np)bav | 1.982(5) | 2.001(4) | 2.005(2) | 2.006(3) | 1.999(1) | 1.993(1) |
| Fe–C(CS)b | 1.662(3) | 1.703(4) | 1.707(2) | 1.7042(18) | 1.889(8) | 1.800(12) |
| Fe–Lb | – | 2.112(3) | 2.1469(18) | 2.1550(15) | 1.959(3) | 2.089(7) |
| C–Sb | 1.559(3) | 1.563(4) | 1.565(2) | 1.5626(18) | 1.603(8) | 1.576(12) |
| ΔFeb | 0.23 | 0.10 | 0.03–0.10c | 0.0–0.03c | 0.0d | 0.0d |
| Fe–C–Se | 176.3(2) | 172.2(2) | 176.24(13) | 174.57(12) | 175.4(5) | 175.4(6) |
| C–Fe–Le | 175.32(3) | 177.66(8) | 176.94(7) | 177.8(3) | 168.8(8) | |
| ref | 25 | tw | tw | tw | tw | tw |
a
Five-coordinate species.
b
Values in Å.
c
Range defined by choice of disordered atoms.
d
Value required by inversion symmetry.
e
Value in degrees.