Table 3.
Selected Structural Parameters for (Cyano)iron Porphyrinates and Hemoproteins
| Complex | (Fe-Np)ava | Fe-Ca | Fe-NLa | C-Na | Fe-C-Nb | Tb, c | VCNd | ref. |
|---|---|---|---|---|---|---|---|---|
| Iron(III) porphyrinates | ||||||||
| [K((CH3)2CO)2][Fe(TPP)(CN)2]e | 2.000(6) | 1.975(2) | 1.147(3) | 177.8(3) | 1.6 | 2120 | 13 | |
| [K(18-crown-6)][Fe(TMP)(CN)2]f | 1.973(5) | 1.970 (4) | 1.158(1) | 175.3(12) | 3.8 | 2111 | tw | |
| 1.986(6) | 1.159(2) | 172.8(14) | 5.2 | tw | ||||
| [PPN][Fe(TMP)(CN)2]e | 2.003(4) | 1.990 (5) | 1.151(7) | 178.6(5) | 44 | |||
| [K(222)][Fe(BH(Bipy)2P)(CN)2]g | 1.949(14) | 1.949(4) | 1.152(9) | 170.8(5) | 5.2 | 45 | ||
| [Fe(OEOP)(CN)2]e | 1.966(9) | 1.969(10) | 1.128(14) | 177.4(11) | NR | 45 | ||
| [Fe(OEP)(CN)(Py)] | 1.980(4) | 1.934(4) | 2.087(3) | 1.140 | 179.1(1) | 0 | 15 | |
| [Fe(OEP)(CN)(1-MeIm)] | 1.994(7) | 1.927(8) | 2.048(6) | 1.15(1) | 175.6(5) | NR | 2115 | 47 |
| [Fe(TPP)(CN)(Py)] | 1.970(14) | 1.908(4) | 2.075(3) | 1.152(4) | 176.8(3) | 3.2 | 2130 | 14 |
| [Fe(TPP)(CN)(Py)] | 1.977(10) | 1.927(3) | 2.072(2) | 1.157(3) | 176.4(2) | 3.1 | 2130 | tw |
| [Fe(TPP)(CN)(1-MeIm)] | 1.993(3) | 1.9179(15) | 2.0149(12) | 1.1616(19) | 177.18(13) | 2.2 | 2130 | tw |
| [Fe(TMP)(CN)(1-MeIm)] | 1.982(8) | 1.929(3) | 2.026(2) | 1.155(4) | 176.2(3) | 3.2 | 2125 | tw |
| Hemoprotein Iron(III) | ||||||||
| Sperm whale Mb | 2.03 | 2.02 | 1.06 | 166 | 10 | 48 | ||
| Arthromyces ramosus peroxidase | 2.00 | 159 | 3 | 49 | ||||
a
Value A.
b
Value in degrees.
c
The tilt of Fe-CCN vector from the normal to the 24-atom mean plane.
d
Value in cm-1; KBr pellets.
e
These structures all have crystallographically required inversion symmetry.
f
Average values for the three unique [K(18-C-6)][Fe(TMP)(CN)2] entities; top line is for the simpler cyanide ligand, while the bottom line has cyanide further coordinated by [K(18-crown-6)].
g
Average value for the two cyanide groups.