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. Author manuscript; available in PMC: 2021 Jul 26.
Published in final edited form as: Inorg Chem. 2018 Feb 7;57(4):1935–1949. doi: 10.1021/acs.inorgchem.7b02748

Table 2.

Selected Intraligand Bond Distances (Å) for 1–5 versus Typical Neutral and Monoreduced Radical Anion (α-Imino-N-heterocycle) Ligands10

1 2 3 4 5 typical L0 typical L•−
Nim(1)–Cima 1.294(6) 1.297(4) 1.281(5) 1.275(2) 1.281(5) 1.28 1.34
Nim(2)–Cimc 1.300(7) 1.297(3) 1.287(5) 1.274(2) 1.287(5) 1.28 1.34
Cim(1)–Cipsoa 1.417(7) 1.427(4) 1.432(6) 1.447(3) 1.436(6) 1.47 1.41
Cim(2)–Cipsoc 1.411(8) 1.427(4) 1.436(6) 1.449(3) 1.432(6) 1.47 1.41
Nim(1)–Cimb 1.294(6) 1.301(3) N/A 1.283(2) N/A 1.28 1.34
Nim(2)–Cimd 1.300(7) 1.294(3) N/A 1.272(2) N/A 1.28 1.34
Cim(1)–Cipsob 1.417(7) 1.430(4) N/A 1.442(3) N/A 1.47 1.41
Cim(2)–Cipsod 1.411(8) 1.423(4) N/A 1.451(3) N/A 1.47 1.41
a

Imine(1) bound to Fe(1).

b

Imine(1) bound to Fe(2).

c

Imine(2) bound to Fe(1).

d

Imine(2) bound to Fe(2).