Measurement evidence
Mixed Ionic and Electronic Conductivity in a Tetrathiafulvalene-Phosphonate Metal-Organic Framework · Ribeiro C., Tan B., Figueira F. et al. · Journal of the American Chemical Society · 2025 · 63-68
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
TTFTP-La MOF bulk dark crystals · Powder
PXRD after heating to RT/100/200/300 °C and after aqueous/solvent treatments for 24 h.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Chemical stability after solvent/pH exposure | PXRD retains framework pattern after 24 h treatment in pH 2, pH 7, pH 11, ethanol and CH2Cl2 | — | — | Caption Qualitative | S23 · Physicochemical characterization · Figure S22 |
TTFTP-La MOF single crystal · Single Crystal
Structure solved with SHELXT and refined with SHELXL; hydrogen atoms treated as described in SI.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Unit-cell a | 19.3985(4) | — | (4) | SI Table Exact Reported | S15 · Crystal data · Table S1 |
| Unit-cell b | 21.6367(5) | — | (5) | SI Table Exact Reported | S15 · Crystal data · Table S1 |
| Unit-cell c | 31.2079(4) | — | (4) | SI Table Exact Reported | S15 · Crystal data · Table S1 |
| Formula weight | 5912.35 | — | — | SI Table Exact Reported | S15 · Crystal data · Table S1 |
| Final R1 for I > 2 sigma(I) | R1 = 0.1048 | — | — | SI Table Exact Reported | S15 · Crystal data · Table S1 |
| Space group | P-1 | — | — | SI Table Exact Reported | S15 · Crystal data · Table S1 |
| Unit-cell volume | 11993.5 Å3 | — | — | SI Table Exact Reported | S15 · Crystal data · Table S1 |
TTFTP-La MOF single crystal · Single Crystal
Distances and charges extracted/calculated from the TTFTP-La crystal structure.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Calculated free volume | approximately 10-11% of unit-cell volume | — | main text approximately 11%; Figure S12 caption ca. 10% | Text Approximate | 64 · main text · Figure S12 |
| Adjacent free -POH group distances | 4.6, 5.3, 5.9, 4.7, and 5.7 Å | — | range 4.6-5.9 Å | Figure Axis Exact Reported | 64 · Figure caption · Figure 1c |
| Shortest intermolecular S...S distances in TTF stack | 3.62, 3.58, 3.60, and 3.55 Å; approximately 3.6 Å | — | range 3.55-3.62 Å | Figure Axis Exact Reported | 64 · main text · Figure 1b |
| Calculated TTF moiety charge range | q = 0.008-0.640 across six linkers | — | range 0.008-0.640 | SI Table Range | S18 · Crystal structure of TTFTP-La MOF · Table S2 |