Table 1. X-ray diffraction data and processing statistics.
Space group | P3121 |
Unit-cell parameters (Å) | a = 125.1, b = 125.1, c = 80.9 |
Volume of the unit cell (Å3) | 1096701.6 |
Resolution range (Å) | 50.00–2.60 (2.60–2.69) |
Total No. of reflections | 205783 |
No. of unique reflections | 24077 |
Completeness (%) | 100.0 (100.0) |
Average I/σ(I) | 22.119 (5.194) |
R merge † (%) | 11.7 (54.0) |
Average multiplicity | 9.0 (9.1) |
R merge = , where I i(hkl) is the observed intensity and 〈I(hkl)〉 is the average intensity from multiple measurements.