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Figure 6
Pawley fit of synchrotron XRPD data of HI co-crystallized with 4-bromo­resorcinol at pH = 6.27 (sample code: brm14). Data were collected at ID22-ESRF [λ = 1.29994 (1) Å, 298 K]. The monoclinic P21(δ) phase is observed. The black, red and blue lines represent the experimental data, the calculated pattern and their difference, respectively. The black vertical bars correspond to Bragg reflections compatible with space group P21. The inset corresponds to a magnification of the fit in a selected 2θ region. The extracted unit-cell parameters and agreement factors are a = 48.833 (1), b = 60.146 (1), c = 47.6372 (7) Å, β = 93.848 (2)°, Rwp = 6.21% and χ2 = 1.01.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 3| June 2021| Pages 963-975
https://doi.org/10.1107/S160057672100426X
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