Table 1.
Selected metal-ligand bond distances (Å) for 3(b)-Cl, 3(b)-Me2Im, 5(b) and related complexes.
| Fe-N1 | Fe-N2 | Fe-N3 | Fe-O1 | Fe-O2 | Fe-O/Cl | |
|---|---|---|---|---|---|---|
| 3(b)-Cl | 2.251(4) | 2.181(4) | 2.179(4) | 2.081(3) | 2.103(4) | 2.3176(15) |
| 3(b)-Cl a | 5 @ 2.15a | 1 @ 2.31a | ||||
| [FeII(qn)2(Cl)]b(65) | 2.0413(11) | 2.0705(11) | 2.2788(5) | |||
| 3(b)-Me2Im | 4 @ 2.14, 2 @ 1.94a | - | ||||
| [FeII(Py)2(Mes2ArCO2)2]b (52) | 1.961(2) | 1.980(2) | ||||
| [FeII(MeIm)2(Mes2ArCO2)2]b (50, 55) | 2.028(2) | 1.989(2) | ||||
| [FeII(Py)4(AcO)2]b(49, 66) | 2.031(4) | 2.031(4) | ||||
| [FeII(bdtbpza)Cl]2b (54) | 2.046(3) | 2.320(4) | ||||
|
| ||||||
| 5(b) | 4 @ 1.98a | 1 @ 1.66a | ||||
| [FeIV(O)(N4Py)]2+ (32) | 2.033(8) | 1.964(5) | Fe-N′ −1.949(5) | 1.639(5) | ||
| [FeIV(O)(N4Py)]2+ (67) | 5 @ 1.98a | 1 @ 1.64a | ||||
| [FeIV(O)(TPA)(NCCH3)]2+ (29) | 4 @ 1.98a | 1 @ 1.65a | ||||
| [FeIV(O)(TPA)(O2CCF3)]+ (68) | 4 @ 1.98, 1 @ 2.19a | 1 @ 1.66a | ||||
a
EXAFS-measured distances; all others obtained using X-ray diffraction techniques.
b
Ligand abbreviations used: qn = quinaldate; Py = pyridine; AcO = acetate; Mes2ArCO2 = 2,6-dimesitylbenzoate; bdtbpza = bis(3,5-di-tert-butylpyrazol-1-yl)acetic acid