Table 3. Area of the two-dimensional unit cell for PTCDA/Ag(111), P2O/Ag(111), DCV4T-Et2/Ag(111) and trans-DBPen/Cu(111), calculated from the specular scan q spec in X-ray diffraction and the volume from GIXD (Simbrunner et al., 2020 ▸, 2021a ▸), compared with the area obtained from GIXD and LEED experiments.
| Molecule/substrate | Miller indices (uvw) | q spec (Å−1) | Vol. (Å3) | Area calculated† (Å2) | Area GIXD (Å2) | Area LEED (Å2) |
|---|---|---|---|---|---|---|
| PTCDA/Ag(111) | ±(103) | 1.947 (2) | 773.0 (28) | 239.5 (9) | 238.1 (6) | 238.32 (2) |
| P2O/Ag(111) | ±(102) | 1.942 (2) | 363.5 (4) | 112.3 (2) | 112.3 (1) | 114.74 (24) |
| DCV4T-Et2/Ag(111) | ±(122) | 1.857 (2) | 662.5 (14) | 195.8 (5) | 196.1 (2) | 180.57 (2) |
| ±(211) | 1.828 (2) | 661.1 (36) | 192.3 (11) | 191.7 (1) | ||
| ±(020) | 1.828 (2) | 673.5 (13) | 98.0 (2)‡ | 98.0 (2) | ||
| trans-DBPen/Cu(111) | ±(020) | 1.660 (2) | 944.8 (13) | 124.8 (2)‡ | 124.6 (3) | 305.62 (2) |
†
cf. Equation (6).
‡
gcd = 2.