Table 3. Data collection and processing.
Diffraction source | Beamline I04, Diamond Light Source |
Wavelength () | 0.91730 |
Temperature (K) | 100 |
Detector | Pilatus |
Crystal-to-detector distance (mm) | 326 |
Rotation range per image () | 0.1 |
Total rotation range () | 116 |
Exposure time per image (s) | 0.1 |
Space group | I4122 |
a, b, c () | 143.090, 143.090, 76.430 |
, , () | 90.000, 90.000, 90.000 |
Resolution range () | 67.422.34 (2.402.34) |
No. of unique reflections | 17040 (1246) |
Completeness (%) | 99.95 (100) |
Multiplicity | 8.51 (8.52) |
I/(I) | 22.4 (3.28) |
R merge | 0.05 (0.63) |
CC1/2 | 99.9 (75.4) |