Table 1. X-ray diffraction data-collection and processing statistics.
Space group | P1211 |
Wavelength () | 0.9792 |
Resolution range () | 50.002.85 (2.902.85) |
Unit-cell parameters (, ) | a = 46.82, b = 140.19, c = 81.94, = 90.00, = 92.00, = 90.00 |
No. of molecules in asymmetric unit | 1 |
No. of observed reflections | 151857 |
No. of unique reflections | 22194 |
I/(I) | 11.72 (2.69) |
Completeness (%) | 89.9 (79.1) |
R merge † (%) | 17.4 (57.2) |
R merge = , where I(hkl) is the mean of the i observations Ii(hkl) of reflection hkl.