Table 1. Averaged Structural Metrics and Parameters Derived from SC-XRD Dataa.
| 1-Cl | 1-Hb | 1-K | 2-LaIc | 2-LaBnc | 2-La-pF | 3-Lac | 4-LaId | 4-La-pFd | |
|---|---|---|---|---|---|---|---|---|---|
| P–O (Å) | 1.465(2) | 1.490(1) | 1.520(3) | 1.538(4) | 1.530(2) | 1.528(1) | 1.526(1)f | 1.533(4) | 1.531(3) |
| 1.549(1)g | |||||||||
| P–N1° (Å) | – | 1.638(2) | 1.568(9) | 1.595(4) | 1.595(4) | 1.602(5) | 1.560(1)f | 1.626(5) | 1.592(7) |
| 1.606(2)g | |||||||||
| P–N2° (Å)e | 1.634(4) | 1.674(2) | 1.71(2) | 1.674(5) | 1.678(10) | 1.680(12) | 1.682(12)f | 1.656(11) | 1.678(9) |
| 1.707(4)g | |||||||||
| P–N2°† (Å) | 1.634(4) | 1.675(1) | 1.693(2) | – | – | 1.670(5) | – | 1.674(10) | 1.671(2) |
| P–N2°Δ (Å) | – | 1.672(1) | 1.72(2) | – | – | 1.689(6) | – | 1.685(7) | 1.689(2) |
| ∑N°† (deg) | 355(1) | 355.1(2) | 359.4(4) | 358(1) | 359(1) | 359.9(1) | 359(1) | 360(1) | 359(1) |
| ∑N°Δ (deg) | – | 350.1(2) | 351(1) | 350(1) | 351.4(4) | 351.1(3) | 351(4) | 354(1) | 350(1) |
| ∠O–P–N1° (deg) | – | 106.54(6) | 109.0(9) | 102.27(5) | 102.05(5) | 102.3(3) | 102.22(2)f | 101.99(16) | 103.06(8) |
| 107.27(8)g |
a
Estimated standard deviation in parentheses.
b
Only one crystallographically distinct unit of 1-H is present, and values given are individual metrics, not averages, except for P–N2°.
c
The positional disorder of the backbone carbon atoms precludes distinction between P–N2°Δ and P–N2°† distances.
d
The parameters and metrics for the protonated ligand equivalent are omitted.
e
An average of all P–N2° distances regardless of pyramidal/planar distinction, where applicable.
f
Values for ligands bound in κ1 mode.
g
Values for ligands bound in κ2 mode.