Powder X-ray diffraction and DFT-optimised crystal model
Ni-PTC-60 · Powder
PXRD with Cu Kalpha source from 3-35 degrees at 5 degrees per minute; simulated pattern compared with experiment.
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| Ni-PTC-60 simulated lattice parameter a | 18.26 A | — | — | SI Table Exact Reported | 8 · Table S4 · Table S4 |
| Ni-PTC-60 simulated lattice parameter b | 15.50 A | — | — | SI Table Exact Reported | 8 · Table S4 · Table S4 |
| Ni-PTC-60 simulated lattice parameter c | 22.20 A | — | — | SI Table Exact Reported | 8 · Table S4 · Table S4 |