Powder X-ray diffraction, Rigaku Dmax, Cu-Kalpha radiation
activated Fe-MIL-101-NH2 / pure MOFs · Powder
PXRD comparison of simulated Fe-MIL-101, pristine MOFs, MOFs>NAPI, CHCl3-washed MOFs>NAPI and membrane
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| larger cage internal free diameter | 34 A | — | — | Text Rounded Reported | p004 · 3.1 Synthetic analysis · Fig. 1 |
| smaller cage internal free diameter | 29 A | — | — | Text Rounded Reported | p004 · 3.1 Synthetic analysis · Fig. 1 |
| larger cage accessible pore volume | 20,600 A3 | — | — | Text Rounded Reported | p004 · 3.1 Synthetic analysis · Fig. 1 |
| smaller cage accessible pore volume | 12,700 A3 | — | — | Text Rounded Reported | p004 · 3.1 Synthetic analysis · Fig. 1 |
| reported framework formula | 3D-{[Fe3(O)(BDC-NH2)3(OH)(H2O)2].pH2O} | — | — | Text Exact Reported | p002 · 2.2.1 |
| NAPI imidazole-ring size length | 4.3 x 3.7 A2 | — | — | Text Rounded Reported | p004 · 3.1 Synthetic analysis |
| NAPI imidazole-ring size width | 4.3 x 3.7 A2 | — | — | Text Rounded Reported | p004 · 3.1 Synthetic analysis |
| PXRD restored after CHCl3 elution | pristine PXRD pattern fully restored after NAPI elution by CHCl3, even at 150 deg C | — | — | Text Rounded Reported | p005 · 3.2 Powder-XRD · Fig. 4 |
| PXRD effect of NAPI loading | no obvious lower-angle reflections and decreased peak intensity | — | — | Text Qualitative | p005 · 3.2 Powder-XRD · Fig. 4 |
| Fe-MIL-101-NH2 phase assignment | PXRD comparison confirms pure phase MOFs | — | — | Text Qualitative | p004 · 3.2 Powder-XRD · Fig. 4 |
| framework retained after water and CHCl3 | crystalline Fe-MIL-101-NH2 structure still there after immersing in water and CHCl3 | — | — | Text Qualitative | p002 · SI 3 · Fig. S1 |
| larger hexagonal-window free aperture | 14.7 A of 16 A | — | — | Text Rounded Reported | p004 · 3.1 Synthetic analysis · Fig. 1 |
| pentagonal-window free opening | 12 A | — | — | Text Rounded Reported | p004 · 3.1 Synthetic analysis · Fig. 1 |