Crystallographic pore/channel analysis from single-crystal structure
Single crystals of Cu[Cu(pdt)2] · Single Crystal
Pore dimensions and residual electron density inferred from X-ray crystal structure; no adsorption isotherm or BET surface area reported.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Tentative CH3CN probability in pore refinement | fixed to 1 | — | — | Text Exact Reported | p004 · Refinement of electronic density within channel · Figure S2 |
| Tentative H2O refined probability in pore | 0.33 | — | — | Text Exact Reported | p004 · Refinement of electronic density within channel · Figure S2 |
| One-dimensional vacant-space cross-sectionMarked as a best value within this paper | 3.4 A x 3.4 A | — | — | Text Rounded Reported | 9049 / p002 · Crystal structure discussion · Figure 2 |
| Pore solvent mobility at 100 K | solvent molecules are not fixed but moving even at 100 K | — | — | Text Qualitative | p004 · Refinement of electronic density within channel · Figure S2 |