Measurement evidence
Electrical conductivity through π–π stacking in a two-dimensional porous gallium catecholate metal–organic framework · Skorupskii G., Chanteux G., Le K.N. et al. · Annals of the New York Academy of Sciences · 2022 · 226-230
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Ga9(HOTP)4 powder activated by heating in vacuo · Powder
PXRD patterns compared for supercritical CO2-activated, heating-in-vacuo activated, and as-made Ga9(HOTP)4.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Effect of vacuum heating activation on crystallinity | significant loss of crystallinity | — | — | Text Qualitative | SI p.2-S3 · Elemental and thermogravimetric analysis · Figure S2 |
As-made Ga9(HOTP)4 microcrystalline powder · Powder
Capillary PXRD in Debye-Scherrer geometry on dry material mixed with 5-10 wt.% alpha-Al2O3 internal standard; Bruker D8 Advance, Cu Kalpha1,2, 295 K.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CCDC deposition number | 2171444 | 2171444 | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Crystal system | Trigonal | — | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Calculated density | 1.88951 g cm-3 | 1.88951 g cm-3 | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Overall formula excluding noncoordinated solvent | Ga9(H2O)30(HOTP)4(SO4)6 | — | — | Text Exact Reported | main p.227 · Results and discussion |
| Rietveld formula | C72 Ga9 O95 S6 | — | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Goodness of fit | GOF = 3.85 | 3.85 | — | Caption Exact Reported | main p.228 · Figure caption · Figure 2 |
| Lattice parameter a | 21.6976(12) A | 21.6976 A | (12) | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Lattice parameter c | 13.7912(11) A | 13.7912 A | (11) | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Layer/pi-pi stacking separation | approximately 3.45 A | 3.45 A | approximate | Text Approximate | main p.227 · Results and discussion · Figure 1D |
| Formula mass Mr | 3204.56 g mol-1 | 3204.56 g mol-1 | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Pore diameter | approximately 8 A | 8 A | approximate | Caption Approximate | main p.228 · Figure caption · Figure 1A |
| RBragg residual | 3.10% | 3.1 % | — | Caption Exact Reported | main p.228 · Figure caption · Figure 2 |
| Number of Rietveld parameters | 66 | 66 parameters | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Number of refined reflections | 1096 (material) + 17 (Al2O3) | 1096 material reflections | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Number of Rietveld restraints | 26 | 26 restraints | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Rwp residual | 6.83% | 6.83 % | — | Caption Exact Reported | main p.228 · Figure caption · Figure 2 |
| Space group | P-3c1 | — | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Unit cell volume | 5622.8(8) A3 | 5622.8 A3 | (8) | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |
| Z | 2 | 2 | — | SI Table Exact Reported | SI p.6 · Table S1 · Table S1 |