Table 3. Geometrical parameters (see text) of the shift of molecules within molecular columns for different CuPc polymorphs, CuPcF16 polymorphs and CuPcCl16 .
| Crystal structure | φ1 and φ2 (°) | | m | (Å) | Lateral shift vector along n 1 and n 2 (Å) | Molecular packing in the crystal structure, angle (°) between molecular planes of neighbouring columns |
|---|---|---|---|---|
| α-CuPc | 65.0, 86.4 | 3.805 | 1.61, 0.24 | Parallel |
| β-CuPc | 57.5, 61.0 | 4.801 | 2.58, 2.33 | Herringbone, 89.4 |
| γ-CuPc | 67.1, 76.0 | 3.813 | 1.48, 0.92 | Herringbone, 54.8 |
| ɛ-CuPc | 41.3, 86.8 | 5.000 | 3.76, 0.28 | Herringbone, 53.5 |
| CuPcF16 (I) | 56.5, 61.4 | 4.796 | 2.65, 2.30 | Herringbone, 28.1 |
| 58.5, 59.5 | 4.796 | 2.51, 2.43 | ||
| CuPcF16 (II) | 57.7, 59.6 | 4.860 | 2.60, 2.46 | Parallel |
| CuPcCl16 | 59.4, 90 | 3.833 | 1.95, 0 | Parallel |