PXRD with Le Bail fitting; Cu Kalpha radiation
as-synthesised Cu-TAC powder · Powder
Experimental PXRD compared with simulated AA and AB stacking structures.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Lattice parameter a | a = 21.36 A | — | — | Text Exact Reported | main p.3 · Results and Discussion · Figure 2b |
| Lattice parameter c | c = 3.40 A | — | — | Text Exact Reported | main p.3 · Results and Discussion · Figure 2b |
| Le Bail Rp | Rp = 2.00% | — | — | Text Exact Reported | main p.3 · Results and Discussion · Figure 2b |
| Le Bail Rwp | Rwp = 2.59% | — | — | Text Exact Reported | main p.3 · Results and Discussion · Figure 2b |
| PXRD (001) diffraction peak | 27.6 deg | — | — | Text Exact Reported | main p.3 · Results and Discussion · Figure 2b |
| PXRD (100) diffraction peak | 2theta approx 4.8 deg | — | approx | Text Approximate | main p.3 · Results and Discussion · Figure 2b |
| Space group | P6/m | — | — | Text Exact Reported | main p.3 · Results and Discussion · Figure 2b |