Powder X-ray diffraction (PXRD) and profile fitting
as-synthesised Ni-TTC black powder · Powder
Rigaku MiniFlex 600, Cu sealed tube lambda = 1.54178 A at 40 kV and 15 mA; comparison with DFT simulated stacking models
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| 2D square lattice parameter from first five PXRD peaks | a = b = 14.46 A | — | — | Text Exact Reported | 2 · 2.1. Synthesis and Structural Characterization of Ni-TTC · Figure 1c |
| profile-fitted monoclinic a | a = 13.06 A | — | — | Text Exact Reported | 2 · 2.1. Synthesis and Structural Characterization of Ni-TTC · Figure 1c |
| PXRD profile fitting GoF | GoF = 1.40% | — | — | Text Exact Reported | 2 · 2.1. Synthesis and Structural Characterization of Ni-TTC · Figure 1c; Figure S2 |