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F.W., formula weight; Z, formula units per cell; a, lattice parameter; V, volume per cell; θ, angle; Rint, a measure of the agreement between multiple measurements of a given reflection, used to assess data quality; R1 and R2, a measure of the agreement between the calculations and measurements under F-model and square F-model, respectively. Smaller values indicate better agreement. The uncertainties for temperature (T) and extinction coefficient represent confidence level. The uncertainties for lattice constants (a) and volume (V) are standard deviations.