Table 4.

Selected Bond Distances (Å) and Angles (deg) for [Fe(TMP)(2-MeHIm)] (mol 3 and mol 4) and Related Species^a

Complex	Fe–Npb,c	Fe–Nimc	ΔN4c,d	Δc,e	Ct· · ·Nc	Fe–N–Cf,g	Fe–N–Cf,h	θf,i	φf,j	ref.
[Fe(TMP)(2-MeHIm)] (mol 3)	2.074(10)	2.123(4)k	0.36	0.44	2.042	127.1(3)	126.4(3)	9.1	19.3	tw
[Fe(TMP)(2-MeHIm)] (mol 4)	2.076(19)	2.163(3)k	0.40	0.44	2.038	132.2(2)	120.2(2)	5.2	9.6	tw
[Fe(TPP)(1,2-Me2Im)]	2.079(8)	2.158(2)k	0.36	0.42	2.048	129.3(2)	124.9(2)	11.4	20.9	67
[Fe(TTP)(2-MeHIm)]	2.076(3)	2.144(1)	0.32	0.39	2.050	132.8(1)	121.4(1)	6.6	35.8	67
[Fe(Tp-OCH3PP)(2-MeHIm)]	2.087(7)	2.155(2)k	0.39	0.51	2.049	130.4(2)	123.4(2)	8.6	44.5	67
[Fe(Tp-OCH3PP)(1,2-Me2Im)]	2.077(6)	2.137(4)	0.35	0.38	2.046	131.9(3)	122.7(3)	6.1	20.7	67
[Fe(TPP)(2-MeHIm)](2-fold)	2.086(8)	2.161(5)	0.42	0.55	2.044	131.4(4)	122.6(4)	10.3	6.5	34
[Fe(TPP)(2-MeHIm)] ·1.5C6H5Cl	2.073(9)	2.127(3)k	0.32	0.38	2.049	131.1(2)	122.9(2)	8.3	24.0	35
[Fe(TpivPP)(2-MeHIm)]	2.072(6)	2.095(6)	0.40	0.43	2.033	132.1(8)	126.3(7)	9.6	22.8	68
[Fe(Piv2C8P)(1-MeIm)]	2.075(20)	2.13(2)	0.31	0.34	2.051	126.5	120.4	5.0	34.1	69

^aEstimated standard deviations are given in parentheses.

^bAveraged value.

^cin Å

^dDisplacement of iron from the mean plane of the four pyrrole nitrogen atoms

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

^fValue in degrees.

^gImidazole 2-carbon, sometimes methyl substituted

^hImidazole 4-carbon.

ⁱOff-axis tilt (deg) of the Fe–N_im bond from the normal to the porphyrin

^jplane. Dihedral angle between the plane defined by the closest N_p –Fe–N_im and the imidazole plane in deg.

^kMajor imidazole orientation.