Table 2.
Selected interatom distances and bond angles for [Fe2(N-EtHPTB)(O2X)]2+.
| 1•O2PPh2 | 1•O2AsMe2 | 1•O2CPh* | |
|---|---|---|---|
| τave | 0.77 | 0.81 | 0.93 |
| Interatom distances (Å) | |||
| Fe1-O1 | 2.004(2) | 2.0145(13) | 1.976(5) |
| Fe2-O1 | 1.992(2) | 2.0037(14) | 1.964(5) |
| Fe1-N1 | 2.294(3) | 2.3366(16) | 2.316(6) |
| Fe2-N2 | 2.352(3) | 2.3892(16) | 2.280(7) |
| Fe1-O2 | 2.008(2) | 1.9825(14) | 2.057(5) |
| Fe2-O3 | 2.021(2) | 1.9863(14) | 2.019(6) |
| Fe1-N3 | 2.086(3) | 2.1372(17) | 2.064(6) |
| Fe1-N5 | 2.115(3) | 2.1023(18) | 2.069(6) |
| Fe2-N7 | 2.075(3) | 2.1088(17) | 2.080(6) |
| Fe2-N9 | 2.098(3) | 2.0759(17) | 2.064(6) |
| P1/C44/As1-O2 | 1.514(2) | 1.6740(15) | 1.264(9) |
| P1/C44/As1-O3 | 1.512(2) | 1.6776(14) | 1.253(9) |
| Fe1 ⋯·Fe2 | 3.5405(10) | 3.5357(5) | 3.4749(31) |
| O2·⋯ O3 | 2.5600(32) | 2.7991(21) | 2.2251(74) |
| Bond angles (degrees) | |||
| Fe1-O1-Fe2 | 124.76(11) | 123.27(6) | 123.8(2) |
| O1-Fe1-O2 | 105.55(9) | 105.77(6) | 98.6(2) |
| O1-Fe2-O3 | 99.44(9) | 107.92(6) | 101.5(2) |
| Fe1-O2-P1/C44/As1 | 132.01(14) | 127.24(8) | 136.4(5) |
| Fe2-O3-P1/C44/As1 | 138.88(15) | 128.15(8) | 133.9(5) |
| O2-P1/C44/As1-O3 | 115.59(13) | 113.26(7) | 124.2(7) |
*
Data for 1•O2CPh were re-refined using full-matrix least-squares on F2 and atoms were renamed to match labeling scheme of 1•O2PPh2 and 1•O2AsMe2. The new solution was deposited directly with the Cambridge Crystallographic Data Centre (deposition number CCDC 731669). Values in the table represent recalculated distances and angles.