Measurement evidence
Isoreticular Linker Substitution in Conductive Metal–Organic Frameworks with Through-Space Transport Pathways · Xie L.S., Park S.S., Chmielewski M.J. et al. · Angewandte Chemie - International Edition · 2020 · 19623-19626
Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.
Cd activated bulk microcrystalline powder · Powder
as-synthesised and activated Cd compared to simulated SCXRD pattern
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD pattern comparison | as-synthesised and activated patterns compared to simulated single-crystal pattern | — | — | Caption Qualitative | S35 · Physical Characterization · Figure S16 |
Cd diffraction-quality/single-crystal device crystals · Single Crystal
100 K; Cu Kalpha, SHELXT/SHELXL refinement; SQUEEZE for pore solvent
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CCDC deposition number | 1991308 | — | — | SI Table Exact Reported | S26 · Crystallographic and Structural Characterization · Table S3 |
| unit cell a=b | 18.9948 | — | — | SI Table Exact Reported | S26 · Crystallographic and Structural Characterization · Table S3 |
| unit cell c | 21.0109 | — | — | SI Table Exact Reported | S26 · Crystallographic and Structural Characterization · Table S3 |
| unit cell volume | 6565.1 | — | — | SI Table Exact Reported | S26 · Crystallographic and Structural Characterization · Table S3 |
| final R1 [I > 2sigma(I)] | 0.0618 | — | — | SI Table Exact Reported | S26 · Crystallographic and Structural Characterization · Table S3 |
| interplanar linker spacing | 3.5887 | — | — | Table Exact Reported | p002 · Results · Table 1 |
| Ni...Ni linker-stack distance | 3.7704(11) | — | (11) | Table Exact Reported | p002 · Results · Table 1 |
| linker-stack slip distance | 1.1566(3) | — | (3) | Table Exact Reported | p002 · Results · Table 1 |
| space group | P65 | — | — | SI Table Exact Reported | S26 · Crystallographic and Structural Characterization · Table S3 |
Mn activated bulk microcrystalline powder · Powder
as-synthesised and activated Mn compared to simulated SCXRD pattern
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD pattern comparison | as-synthesised and activated patterns compared to simulated single-crystal pattern | — | — | Caption Qualitative | S33 · Physical Characterization · Figure S14 |
Mn diffraction-quality/single-crystal device crystals · Single Crystal
100 K; Mo Kalpha, SHELXT/SHELXL refinement; SQUEEZE for pore solvent
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CCDC deposition number | 1991306 | — | — | SI Table Exact Reported | S24 · Crystallographic and Structural Characterization · Table S1 |
| unit cell a=b | 18.867 | — | — | SI Table Exact Reported | S24 · Crystallographic and Structural Characterization · Table S1 |
| unit cell c | 21.249 | — | — | SI Table Exact Reported | S24 · Crystallographic and Structural Characterization · Table S1 |
| unit cell volume | 6550 | — | — | SI Table Exact Reported | S24 · Crystallographic and Structural Characterization · Table S1 |
| final R1 [I > 2sigma(I)] | 0.0746 | — | — | SI Table Exact Reported | S24 · Crystallographic and Structural Characterization · Table S1 |
| interplanar linker spacing | 3.6663 | — | — | Table Exact Reported | p002 · Results · Table 1 |
| Ni...Ni linker-stack distance | 3.8131(9) | — | (9) | Table Exact Reported | p002 · Results · Table 1 |
| linker-stack slip distance | 1.048(2) | — | (2) | Table Exact Reported | p002 · Results · Table 1 |
| space group | P65 | — | — | SI Table Exact Reported | S24 · Crystallographic and Structural Characterization · Table S1 |
Zn activated bulk microcrystalline powder · Powder
as-synthesised and activated Zn compared to simulated SCXRD pattern
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| PXRD pattern comparison | as-synthesised and activated patterns compared to simulated single-crystal pattern | — | — | Caption Qualitative | S34 · Physical Characterization · Figure S15 |
Zn diffraction-quality single crystals · Single Crystal
100 K; Cu Kalpha, SHELXT/SHELXL refinement; SQUEEZE for pore solvent
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| CCDC deposition number | 1991307 | — | — | SI Table Exact Reported | S25 · Crystallographic and Structural Characterization · Table S2 |
| unit cell a=b | 18.6946 | — | — | SI Table Exact Reported | S25 · Crystallographic and Structural Characterization · Table S2 |
| unit cell c | 20.9489 | — | — | SI Table Exact Reported | S25 · Crystallographic and Structural Characterization · Table S2 |
| unit cell volume | 6340.5 | — | — | SI Table Exact Reported | S25 · Crystallographic and Structural Characterization · Table S2 |
| final R1 [I > 2sigma(I)] | 0.0554 | — | — | SI Table Exact Reported | S25 · Crystallographic and Structural Characterization · Table S2 |
| interplanar linker spacing | 3.5767 | — | — | Table Exact Reported | p002 · Results · Table 1 |
| Ni...Ni linker-stack distance | 3.7027(6) | — | (6) | Table Exact Reported | p002 · Results · Table 1 |
| linker-stack slip distance | 0.9582(2) | — | (2) | Table Exact Reported | p002 · Results · Table 1 |
| space group | P6522 | — | — | SI Table Exact Reported | S25 · Crystallographic and Structural Characterization · Table S2 |