Figure 3
Rietveld refinement of the crystal structure of the tp:ba cocrystal, showing the X-ray intensity for the cocrystal under ambient conditions as a function of diffraction angle 2θ. The observed pattern (black circles), the best Rietveld fit profile (red line), the reflection positions (blue tick marks) and the difference curve (grey line) of observed and calculated profiles are shown. The energy was 12.4012 keV (λ = 1.0004 Å). The confidence values Rp′, Rwp′ and Rexp′ denote values with background subtraction. |