Table 1.

Selected Bond Parameters (Å) for Five-coordinate Iron(II) Porphyrin Derivatives

Iron(II) Complex	Fe-Np	Fe-L	ΔN4a	Δb	Ct…N	S	ref
[Fe(TpivPP)(NO3)]-	2.070(16)	2.069(4)	0.42	0.49	2.027	2	this work
[Fe(TpivPP)Cl]-	2.108(15	2.301(2)	0.53	0.59	2.040	2	28
[Fe(TpivPP)Br]-	2.094(3)	2.434(2)	0.49	NR	2.036	2	29
[Fe(TpivPP)I]-	2.079(2)	2.712(1)	0.40	NR	2.040	2	29
[Fe(TpivPP)(2-MeIm-)]-	2.11(2)	2.002(15)	0.52	0.65	2.045	2	33
[Fe(TpivPP)(SC6HF4)]-	2.076(20)	2.370(3)	0.42	NR	2.033	2	28
[Fe(TPP)(SC2H5)]	2.096(4)	2.360(2)	0.52	0.62	2.030	2	34
[Fe(TpivPP)(SC2H5)]-	2.074(10)	2.324(2)	0.44	0.52	2.027	2	35
[Fe(TpivPP)(O2CCH3)]-	2.107(2)	2.034(3)	0.55	0.64	2.033	2	31
[Fe(TpivPP)(OC6H5)]-	2.114(2)	1.937(4)	0.56	0.62	2.037	2	31
[Fe(TpivPP)(NO2)]-	1.970(4)	1.849(6)	NR	0.18	1.962	0	15,16
[Fe(TpivPP)(2-MeHIm)]	2.072(6)	2.095(6)	0.40	0.43	2.033	2	36
[Fe(TPP)(2-MeHIm)](2-fold)	2.086(8)	2.161(5)	0.42	0.55	2.044	2	37
[Fe(TPP)(2-MeHIm)]·1.5C6H5Cl	2.073(9)	2.127(3)c	0.32	0.38	2.049	2	38
[Fe(Piv2C8P)(1-MeIm)]	2.075(20)	2.13(2)	0.31	0.34	2.051	2	39
[Fe(OEP)(CS)]	1.982(5)	1.662(3)	0.22	0.23	1.970	0	40
[Fe(TPP)(NO)]	2.001(3)	1.717(7)	0.21	0.21	1.990	0	10
[Fe(TPP)(THF)2]	2.057(4)	2.351(3)	0.0d	0.0d	2.057	2	41

^aDisplacement of iron from the mean plane of the four pyrrole nitrogen atoms.

^bDisplacement of iron from the 24-atom mean plane of the porphyrin core.

^cMajor imidazole orientation.

^dSix-coordinate; required to be zero by symmetry.