Powder X-ray diffraction using Cu K alpha radiation; comparison with simulated eclipsed AA and staggered AB models; Pawley refinement
Synthesised PTA/TAPTT COF powder · Powder
PXRD patterns collected in the 1-10 deg range; simulations calculated using Materials Studio 6.0.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Simulated pore size from Materials Studio | ~30 A | — | ~ | Text Approximate | p004 · 3.1. Characterization |
| PXRD low-intensity peak positions | 4.06, 4.73, and 8.00 | — | — | Text Exact Reported | p003 · 3.1. Characterization · Fig. S3 |
| PXRD main peak assigned to 100 reflection | 2.64 | — | — | Text Exact Reported | p003 · 3.1. Characterization · Fig. S3 |
| Best stacking modelMarked as a best value within this paper | eclipsed AA model more conforming than staggered AB | — | — | Text Qualitative | p003 · 3.1. Characterization · Fig. S4 |
| Refined hexagonal unit-cell a and b | a = b = 27.100 A | — | — | Text Exact Reported | p004 · 3.1. Characterization |
| Refined hexagonal unit-cell c | c = 3.600 A | — | — | Text Exact Reported | p004 · 3.1. Characterization |