Table 2. Comparison of triclinic and monoclinic refinements, including twinning.
Triclinic P | Monoclinic P21/n | Triclinic P 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) |