The distances between heavy atoms of analyzed cation in Å.
| Atoms | DFT | Exp. |
|---|---|---|
| C1–N11 | 1.329 | 1.319 |
| C1–O14 | 1.362 | 1.382 |
| C1–N3 | 1.294 | 1.299 |
| N3–N6 | 1.380 | 1.392 |
| O14–C2 | 1.343 | 1.348 |
| N6–C7 | 1.452 | 1.458 |
| C2–C15 | 1.413 | 1.431 |
| C15–C5 | 1.442 | 1.431 |
| C5–C18 | 1.488 | 1.486 |
| C5–N17 | 1.291 | 1.301 |
| N17–O16 | 1.412 | 1.441 |
| O16–C4 | 1.312 | 1.343 |
| C4–C15 | 1.388 | 1.385 |
| C4–N22 | 1.343 | 1.333 |