Table 2. Selected Bond Data for Cu-CB-TR2A (12) and Cu-C3B-DO2A (11)a.
| Cu-CB-TR2A |
|||||
|---|---|---|---|---|---|
| A | B | Cu-C3B-DO2A | |||
| Cu−N Bond Lengths (Å) | |||||
| Cu(2)−N(5) | 1.975(5) | Cu(1)−N(1) | 1.968(5) | Cu(1)−N(1) | 2.201(3) |
| Cu(2)−N(6) | 1.988(5) | Cu(1)−N(2) | 1.956(6) | Cu(1)−N(2) | 2.003(3) |
| Cu(2)−N(7) | 2.051(5) | Cu(1)−N(3) | 2.244(6) | Cu(1)−N(3) | 2.013(3) |
| Cu(2)−N(8) | 2.228(6) | Cu(1)−N(4) | 2.041(5) | Cu(1)−N(4) | 2.002(3) |
| Cu−O Bond Lengths (Å) | |||||
| Cu(2)−O(6) | 2.513(6) | Cu(1)−O(2) | 2.501(5) | Cu(1)−O(1) | 2.003(2) |
| Cu(2)−O(7) | 1.960(4) | Cu(1)−O(3) | 1.981(4) | Cu(1)−O(3) | 2.449(2) |
| N−Cu−N Angles Inside Ligand Cleft (deg) | |||||
| N(5)−Cu(2)−N(6) | 191.3(2) | N(1)−Cu(1)−N(2) | 183.2(2) | N(2)−Cu(1)−N(3) | 173.6(1) |
| N(7)−Cu(2)−N(8) | 81.3(2) | N(3)−Cu(1)−N(4) | 80.2(2) | N(1)−Cu(1)−N(4) | 97.5(1) |
a
Estimated standard deviations in parentheses. For full details, see the Supporting Information.