Table 1. Selected Structural Characteristicsa.
| complex | CN | symmetry | Sc–Oav | Sc–Nav |
|---|---|---|---|---|
| DOTATSAP | 8 | C4 | 2.099 (4) | 2.655 (4) |
| DOTASAP | 8 | C4 | 2.099 (4) | 2.617 (4) |
| DOTASAP + H2O | 9 | C2 | 2.157 (5) | 2.740 (4) |
| DOTA-p-NCS-Bn | 8 | C1 | 2.097 (4) | 2.631 (4) |
| PSMA′ | 8 | C1 | 2.122 (4) | 2.587 (4) |
| DOTATATE′ | 8 | C1 | 2.122 (4) | 2.573 (4) |
| Lpyd | 8 | C4 | – | 2.422 (8) |
| MeDO2PA | 8 | C2 | 2.053 (2) | 2.455 (6) |
| DOTPA | 8 | C4 | 2.069 (4) | 2.747 (4) |
| DOTMP | 8 | C4 | 2.097 (4) | 2.661 (4) |
| DOTMP″ | 8 | C4 | 2.059 (4) | 3.244 (4) |
| AAZTA | 7 | C1 | 2.091 (4) | 2.468 (3) |
| macropaLDL | 10 | C2 | 2.339 (6) | 2.730 (4) |
| bispa2 | 8 | C1 | 2.048 (2) | 2.483 (6) |
| L3 | 7 | C1 | 2.006 (2) | 2.382 (5) |
| L2 | 7 | C1 | 1.985 (1) | 2.347 (6) |
| EGTA | 8 | C1 | 2.230 (6) | 2.474 (2) |
| BAPTAb | 8 | C2 | 2.016 (6) | 2.687 (2) |
| DTPA | 8 | C1 | 2.165 (5) | 2.599 (3) |
| CHX-A″-DTPA | 8 | C1 | 2.161 (5) | 2.597 (3) |
| HOPO | 8 | C1 | 2.231 (8) | – |
a
The Sc3+ complexes are denoted by the ligand names given in the first column. The PSMA′ and DOTATATE′ notations mean the truncated ligands to 73 and 77 atoms, respectively; DOTMP and DOTMP″ mean the DOTMP4– and DOTMP8– ligands, respectively. The average Sc–O and Sc–N bond distances are given in angstroms. The number of coordinating O and N atoms are given in parentheses.
b
Two Sc–O distances around 3.4 Å in the Sc(BAPTA)− complex are too large for a significant interaction. They were excluded from the average data in order to reflect the very strong character of the relevant Sc–O interactions.