Powder X-ray diffraction with Pawley refinement
CDL-MOF1 microcrystalline black powder · Powder
Rigaku SmartLab diffractometer with Cu K-alpha radiation (lambda = 1.5406 A) and CCD area detector; SmartLab Studio II used for processing/refinement.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Pawley unit cell a parameterMarked as a best value within this paper | a = b = 24.09 A | — | — | Text Exact Reported | p004 / article p.4 · Results and Discussion · Figure 2b |
| Pawley unit cell c parameterMarked as a best value within this paper | c = 3.16 A | — | — | Text Exact Reported | p004 / article p.4 · Results and Discussion · Figure 2b |
| Pawley refinement chi-squared | chi2 = 4.03% | — | — | Text Exact Reported | p004 / article p.4 · Results and Discussion · Figure 2b |
| Pawley refinement wR | wR = 2.7% | — | — | Text Exact Reported | p004 / article p.4 · Results and Discussion · Figure 2b |
| CDL-MOF1 [001] PXRD peak | 2theta = 28.22 deg | — | — | Text Exact Reported | p003 / article p.3 · Results and Discussion · Figure 2 |
| CDL-MOF1 [100] PXRD peak | 2theta = 4.3 deg | — | — | Text Rounded Reported | p003 / article p.3 · Results and Discussion · Figure 2 |
| CDL-MOF1 [200] PXRD peak | 2theta = 9.5 deg | — | — | Text Rounded Reported | p003 / article p.3 · Results and Discussion · Figure 2 |
| CDL-MOF1 [210] PXRD peak | 2theta = 12.5 deg | — | — | Text Rounded Reported | p003 / article p.3 · Results and Discussion · Figure 2 |