powder X-ray diffraction with Pawley refinement and simulated stacking models
as-synthesized PyPor-COF powder · Powder
PXRD after washes and Soxhlet extraction; Cu Ka radiation over 2theta 2.0-40 deg at room temperature per SI.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| unit-cell a and b parametersMarked as a best value within this paper | a = b = 27.83 A | 2.783 nm | — | Text Exact Reported | 21569 · Results and Discussion · Figure S2 |
| unit-cell c parameterMarked as a best value within this paper | c = 3.46 A | 0.346 nm | — | Text Exact Reported | 21569 · Results and Discussion · Figure S2 |
| PXRD (001) peak | 2theta = 23.03 deg | — | — | Text Exact Reported | 21569 · Results and Discussion · Figure 2a |
| PXRD (100) peakMarked as a best value within this paper | 2theta = 3.23 deg | — | — | Text Exact Reported | 21569 · Results and Discussion · Figure 2a |
| PXRD (110) peak | 2theta = 4.53 deg | — | — | Text Exact Reported | 21569 · Results and Discussion · Figure 2a |
| PXRD (200) peak | 2theta = 6.45 deg | — | — | Text Exact Reported | 21569 · Results and Discussion · Figure 2a |
| assigned space groupMarked as a best value within this paper | P4/m | — | — | Text Qualitative | 21569 · Results and Discussion · Figure 2b; Figure S2 |
| theoretical porous-channel diameter | approximately 1.91 nm | 19.1 A | — | Text Approximate | 21569 · Results and Discussion · Figure 2b |