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. 2020 Mar 18;59(7):5050–5062. doi: 10.1021/acs.inorgchem.0c00280

Table 5. Relevant Bond Distances (Å) of the Minimum-Energy Structures of the [YL(tta)2A] (A = NO3 and CF3SO3) Complexes in Figure 7 in DCM (MeOH in Parentheses) and for [YL(tta)2(MeOH)] in MeOHa.

  M–Npy M–Nim M–ONO3 M–OCF3SO3 M–OMeOH M–Otta
[YL(tta)2NO3]
A mono 2.657 (2.650) 2.612 (2.604) 2.522 (2.563)     2.387 (2.367)
B bi 2.712 (2.712) 2.695 (2.689) 2.657 (2.677)     2.378 (2.379)
B mono 2.694 (2.698) 2.627 (2.623) 2.484 (2.513)     2.352 (2.352)
[YL(tta)2CF3SO3]
A 2.676 (2.678) 2.635 (2.631)   2.481 (2.502)   2.376 (2.356)
B 2.671 (2.673) 2.629 (2.626)   2.484 (2.505)   2.357 (2.358)
[YL(tta)2(MeOH)]
A 2.653 2.598     2.604 2.360
B 2.664 2.603     2.559 2.361
a

Data for bonds of the same type are averaged.