Table 2.
Selected interatom distances and bond angles for [Fe2(N-EtHPTB)(O2X)]2+.
| 1•O2AsMe2a | 1•O2PPh2a | 1•O2PMe2 | 1•O2P(OPh)2 | 1•O2CC6H2-3,4,5-(OMe)3b | 1•O2CPha | |
|---|---|---|---|---|---|---|
| τave | 0.81 | 0.77 | 0.82 | 0.91 | 0.89 | 0.93 |
|
| ||||||
| Interatom distances (Å)
| ||||||
| Fe1-O1 | 2.0145(13) | 2.004(2) | 2.0184(18) | 2.0057(16) | 1.967(3) | 1.976(5) |
| Fe2-O1 | 2.0037(14) | 1.992(2) | 1.9995(18) | 2.0031(15) | 1.970(3) | 1.964(5) |
| Fe1-N1 | 2.3366(16) | 2.294(3) | 2.323(2) | 2.3141(18) | 2.328(4) | 2.316(6) |
| Fe2-N2 | 2.3892(16) | 2.352(3) | 2.372(2) | 2.309(2) | 2.314(4) | 2.280(7) |
| Fe1-O2 | 1.9825(14) | 2.008(2) | 2.0037(19) | 2.0562(16) | 2.036(3) | 2.057(5) |
| Fe2-O3 | 1.9863(14) | 2.021(2) | 2.0123(18) | 2.0506(16) | 2.025(3) | 2.019(6) |
| Fe1-N3 | 2.1372(17) | 2.086(3) | 2.105(2) | 2.0668(19) | 2.045(4) | 2.064(6) |
| Fe1-N5 | 2.1023(18) | 2.115(3) | 2.127(2) | 2.0732(19) | 2.046(4) | 2.069(6) |
| Fe2-N7 | 2.1088(17) | 2.075(3) | 2.098(2) | 2.0551(19) | 2.063(4) | 2.080(6) |
| Fe2-N9 | 2.0759(17) | 2.098(3) | 2.080(2) | 2.075(2) | 2.044(4) | 2.064(6) |
| As1/P1/C44-O2 | 1.6740(15) | 1.514(2) | 1.509(2) | 1.4762(17) | 1.254(5) | 1.264(9) |
| As1/P1/C44-O3 | 1.6776(14) | 1.512(2) | 1.517(2) | 1.4784(18) | 1.273(5) | 1.253(9) |
| Fe1···Fe2 | 3.5357(5) | 3.5405(10) | 3.5364(6) | 3.6211(7) | 3.4879(13) | 3.4749(31) |
| O2···O3 | 2.7991(21) | 2.5600(32) | 2.5545(28) | 2.5520(24) | 2.2253(46) | 2.2251(74) |
|
| ||||||
| Bond angles (degrees)
| ||||||
| Fe1-O1-Fe2 | 123.27(6) | 124.76(11) | 123.32(9) | 129.19(8) | 124.73(15) | 123.8(2) |
| O1-Fe1-O2 | 105.77(6) | 105.55(9) | 102.50(8) | 98.99(6) | 98.27(13) | 98.6(2) |
| O1-Fe2-O3 | 107.92(6) | 99.44(9) | 103.98(8) | 98.93(7) | 100.51(13) | 101.5(2) |
| Fe1-O2-As1/P1/C44 | 127.24(8) | 132.01(14) | 131.47(12) | 133.92(11) | 138.1(3) | 136.4(5) |
| Fe2-O3-As1/P1/C44 | 128.15(8) | 138.88(15) | 132.54(12) | 133.24(10) | 134.7(3) | 133.9(5) |
| O2-As1/P1/C44-O3 | 113.26(7) | 115.59(13) | 115.17(12) | 119.47(10) | 123.4(4) | 124.2(7) |
a
Data from reference 28.
b
The unit cell of this compound contains virtual twins of 1•O2CC6H2-3,4,5-(OMe)3 produced through a pseudo-inversion center. As there is no substantive difference between the two cations, values listed here are taken from a single cation.