Selected structural parameters for M–CHO components for complexes 3.
| M–C (XRD)a (Å) | M–C (DFT)b (Å) | C–O (XRD)a (Å) | C–O (DFT)b (Å) | M–C–O (XRD) (°) | |
|---|---|---|---|---|---|
| 3a | 2.054(9) | 2.048 | 1.210(7) | 1.254 | 132.0(6) |
| 3b | 2.19(2) | 2.200 | 1.26(2) | 1.251 | 130(1) |
| 3c | 1.935(9) | 1.934 | 1.221(2) | 1.247 | 128.5(6) |
| 3d | 1.95(1) | 1.943 | 1.234(9) | 1.263 | 137.1(8) |
| 3e | 1.91(2) | 1.903 | 1.24(1) | 1.253 | 133(1) |
| 3f | 1.804(8) | 1.816 | 1.255(9) | 1.262 | 135.9(6) |
| 3g | 1.920(6) | 1.932 | 1.270(5) | 1.255 | 134.0(5) |
| 3h | 1.80(3) | 1.935 | 1.27(3) | 1.260 | 151(3) |
a
Average bond length, provided with pooled estimated standard deviation (ESDs) in parentheses where possible.
b
Calculated bond length.