Table 2. Structural Data and Calculated Properties of [dmcc][I], [decc][I]-i, [decc][I]-ii, [decc][Cl], [decc][TS], [decc][NS], [decc][AS], [decc][CS], and [decc][PS].
| [dmcc][I] | [decc][I]-i | [decc][I]-ii | [decc][Cl] | [decc][TS] | [decc][NS] | [decc][AS] | [decc][CS] | [decc][PS] | |
|---|---|---|---|---|---|---|---|---|---|
| solvate | MeCN | MeOH | H2O | ||||||
| coordination site | A | A (dimer) | B | A/B | A/B | A | A | A/B | A/B |
| BLA | 0.006 | 0.013 | 0.006–0.014 | 0, 0.004 | 0.011 | 0.007 | 0.021, 0.015 | 0.008 | |
| stacking typea | D | H | P | D | H | P | P | D | P |
a
P, H, and D implying the columnar parallel structure, columnar herringborn-type structure, and dimer structure, respectively (see Figure S27).