Table 2.
Selected bond lengths (Å) and angles (°) for 1, 2a, 2b and [FeII(LN3S)OTf].
| 2a | 2ba | 1b | FeII(LN3S)(OTf) | |
|---|---|---|---|---|
| ref | This work | This work | 26 | 26 |
| Me-N1 | 1.887(2) | 1.8763(13) | 2.202(2) | 2.188(2) |
| M-N2 | 1.967(2) | 1.9590(13) | 2.049(2) | 2.072(2) |
| M-N3 | 1.862(2) | 1.8560(13) | 2.173(2) | 2.184(2) |
| M-S1 | 2.2798(9) | 2.2796(6) | 2.2521(8) | 2.2942(8) |
| M-O1 | 1.9320(18) | 1.9485(11) | 2.0940(18) | 2.0870(18) |
| N1-C7 | 1.462(3) | 1.4559(19) | 1.283(3) | 1.293(3) |
| N3-C14 | 1.465(3) | 1.4714(19) | 1.278(3) | 1.284(3) |
| N1-M-N2 | 79.93(9) | 79.91(5) | 74.54(9) | 73.89(9) |
| N1-M-N3 | 154.19(10) | 146.83(6) | 148.80(8) | 146.47(8) |
| N1-M-S1 | 87.18(7) | 88.84(4) | 85.33(6) | 82.95(6) |
| N1-M-O1 | 97.93(9) | 100.96(5) | 97.56(8) | 98.91(8) |
| N2-M-N3 | 81.33(9) | 80.50(5) | 75.51(9) | 74.32(8) |
| N2-M-S1 | 153.69(8) | 165.36(4) | 143.22(7) | 139.13(6) |
| N2-M-O1 | 100.03(8) | 92.17(5) | 99.75(8) | 102.77(8) |
| N3-M-S1 | 102.34(7) | 104.84(4) | 114.62(6) | 115.57(6) |
| N3-M-O1 | 102.69(8) | 106.28(6) | 95.88(8) | 98.20(8) |
| S1-M-O1 | 104.43(6) | 99.20(4) | 113.38(6) | 113.92(6) |
| N1-C7-C9 | 105.9(2) | 106.30(12) | 113.7(2) | 113.9(2) |
| N3-C14-C13 | 107.7(2) | 106.79(12) | 115.7(2) | 115.9(2) |
a
Data taken from only one of two distinct, but similar molecules in the asymmetric unit.
b
Data taken from only one of three distinct, but similar molecules in the asymmetric unit.
c
M equals Al1 in 2a and 2b, Zn1 in 1, Fe1 in the [FeII(LN3S)(OTf)].