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. 2019 Nov 8;75(Pt 12):1812–1819. doi: 10.1107/S2056989019014907

Table 2. Comparison of triclinic and monoclinic refinements, including twinning.

  Triclinic P Inline graphic Monoclinic P21/n Triclinic P Inline graphic twinned
Z 2 1 2
R int 0.053 0.132 0.053
R w (on F 2, all data) 0.133 0.145 0.098
R (on F, data with F 2 > 2σ) 0.058 0.065 0.043
Max K in analysis of variance 4.01 7.47 1.09
Max difference peak (e Å−3) 1.32 0.83 1.13
Twin fraction     0.832 (2):0.168 (2)