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. Author manuscript; available in PMC: 2011 Mar 24.
Published in final edited form as: J Am Chem Soc. 2010 Mar 24;132(11):3737–3750. doi: 10.1021/ja907584x

Table 1.

Selected Distances (Å) for Iron(II) Porphyrinates with Anionic Ligands.

Complex <Fe–Np >a,b Fe–Lb ΔN4b ref.
[Fe(TPP)Cl] 2.1161(11) 2.3400(5) 0.56 tw
[Fe(TpivPP)Cl] 2.108(15) 2.301(2) 0.53 32
[Fe(TPP)(2-MeIm)] 2.118(13) 2.056(81)c 0.56 12
[Fe(OEP)(2-MeIm)] 2.113(4) 2.060(2) 0.56 12
[Fe(TpivPP)(2-MeIm)] 2.11(2) 2.002(15) 0.52 33
[Fe(TpivPP)(NO3)] 2.070(16) 2.069(4) 0.42 34
[Fe(TPP)(SC2H5)] 2.096(4) 2.360(2) 0.52 35
[Fe(TpivPP)(SC2H5)] 2.074(10) 2.324(2) 0.44 21
[Fe(TpivPP)(OC6H5)] 2.114(2) 1.937(4) 0.56 36
[Fe(TpivPP) (O2CCH3)] 2.107(2) 2.034(3) 0.55 36
a

Average Fe–Np distance.

b

Value in Å.

c

Large error owing to a disordered ligand.