Table 1.
Selected bond distances (Å) and angles (°) of 1–3 (Cpsub = substituted Cp ring).
| 1 | 2 | 3A | 3B | |
|---|---|---|---|---|
| Bond distances | ||||
| C1-O1 | 1.154(2) | 1.151(5) | 1.164(4) | 1.174(5) |
| C2-O2 | 1.155(2) | 1.152(4) | 1.160(4) | 1.167(5) |
| C3-O3 | 1.164(2) | 1.165(4) | 1.157(4) | 1.152(4) |
| Re1-C1 | 1.922(2) | 1.924(4) | 1.903(4) | 1.901(4) |
| Re1-C2 | 1.923(2) | 1.926(3) | 1.917(3) | 1.911(4) |
| Re1-C3 | 1.900(2) | 1.903(3) | 1.910(3) | 1.919(4) |
| Re1-N1 | 2.176(2) | 2.173(3) | 2.177(3) | 2.181(3) |
| Re1-N2 | 2.184(2) | 2.185(3) | 2.175(3) | 2.180(3) |
| Re1-O4 | 2.142(2) | 2.146(2) | 2.125(2) | 2.129(2) |
| Fe-mid point (Cpsub) | - | - | 1.654(2) | 1.649(2) |
| Fe-mid point (Cp) | - | - | 1.651(2) | 1.651(2) |
| bond angles | ||||
| O4-C16-O5 | 125.33(16) | 125.0(3) | 125.7(3) | 125.5(3) |
| O4-Re1-N1 | 81.42(5) | 80.83(9) | 82.33(9) | 79.74(10) |
| O4-Re1-C1 | 95.58(7) | 94.89(13) | 96.39(12) | 98.50(13) |
| O4-Re1-C3 | 174.96(6) | 174.70(12) | 174.35(12) | 173.61(12) |