Table 4.

Selected Bond Distances (Å) and Angles (deg) for New Structures and Related Species ^a

Complexb	Fe–Npc,d	Fe–Nimd	ΔN4d,e	Δd,f	Ct⋯Nd	Fe–N–Cg,h	Fe–N–Cg,i	θg,j	ϕg,k	ref.
[Fe(TPP)(2-MeHIm)]·(1,10-phen) (A)	2:084(5)	2:1289(13)	0:38	0:47	2:049	132.03(12)	123.09(11)	8:8	18:5	tw
[Fe(TPP)(2-MeHIm)]·(1,10-phen) (B)	2:080(9)	2:125(3)	0:36	0:39	2:049	130.8(2)	123.8(2)	6:6	17:7	tw
	2:081(6)	2:120(3)	0:36	0:38	2:051	133.7(2)	121.5(2)	5:4	7:8	tw
[Fe(OEP)(2-MeHIm)]·(1,10-phen)	2:088(14)	2:135(2)	0:39	0:49	2:051	132.75(17)	121.20(16)	2:7	8:1	tw
	2:087(14)	2:131(2)	0:39	0:47	2:051	133.43(17)	121.66(17)	2:1	13:8	tw
[Fe(OEP)(1,2-Me2Im)]	2:080(6)	2:171(3)	0:37	0:45	2:047	132.7(3)	121.4(2)	3:8	10:5	16
[Fe(OEP)(2-MeHIm)]	2:077(7)	2:135(3)	0:34	0:46	2:049	131.3(3)	122.4(3)	6:9	19:5	16
[Fe(TPP)(1,2-Me2Im)]	2:079(8)	2:158(2)l	0:36	0:42	2:048	129.3(2)	124.9(2)	11:4	20:9	14
[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	14
[Fe(Tp-OCH3PP)(2-MeHIm)]	2:087(7)	2:155(2)l	0:39	0:51	2:049	130.4(2)	123.4(2)	8:6	44:5	14
[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	14
[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	38
[Fe(TPP)(2-MeHIm)]·1.5C6H5Cl	2:073(9)	2:127(3)l	0:32	0:38	2:049	131.1(2)	122.9(2)	8:3	24:0	13
average of the eight	2:080(5)	2:147(16)	0:36(3)	0:44(6)	2:048(2)	131.4(12)	122.7(11)	7:8(24)
[Fe(TPP)(2-MeHIm)] (Mol. 1)	2:080(8)	2:120(2)	0:36	0:41	2:050	131.6(1)	122.4(1)	9:2	16:0	21
[Fe(TPP)(2-MeHIm)] (Mol. 2)	2:099(7)	2:099(2)	0:49	0:55	2:040	129.0(1)	125.7(1)	7:6	22:9	21
[K(222)][Fe(OEP)(2-MeIm −)]	2:113(4)	2:060(2)	0:56	0:65	2:036	136.6(2)	120.0(2)	3:6	37:4	15
[K(222)][Fe(TPP)(2-MeIm −)]	2:118(13)	1:999(5)	0:56	0:66	2:044	129.6(3)	126.7(3)	9:8	23:4	15
		2:114(5)				133.6(4)	121.9(4)	6:5	21:6
[Fe(TpivPP)(2-MeIm−)] −	2:11(2)	2:002(15)	0:52	0:65	2:045	NRm	NR	5:1	14:7	39
average of the three	2:114(4)	2:044(54)	0:55(2)	0:65(1)	2:042(5)

^aEstimated standard deviations are given in parentheses.

^bAll complexes are high spin.

^cAveraged value.

^din Å.

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

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

^gValue in degrees.

^h2-carbon, methyl substituted.

ⁱImidazole 4-carbon.

^joff-axis tilt (deg) of the Fe–N_Imbond from the normal to the porphyrin plane.

^kDihedral angle between the plane defined by the closest N_p–Fe–N_Im and the imidazole plane in deg.

^lMajor imidazole orientation.

^mNot reported.