Table 1. Neutron and X-ray data collection statistics.

Dataset	DUOX–8AZA–W1 neutron	DUOX–8AZA–W1 X-ray
Beamline	LADI-III, ILL	BM30A, ESRF
Temperature (K)	293	293
Wavelength (Å)	3.12–4.20	0.9800
Exposure time per image	1.5 h	5 s
Number of images	11	240
Oscillation angle (°)	10	1
Resolution range† (Å)	40.00–2.10 (2.21–2.10)	52.70–1.33 (1.35–1.33)
Space group	I222	I222
Cell dimensions a, b, c (Å)	80.63, 96.13, 105.40	80.63, 96.13, 105.40
Unique reflections†	19234 (2357)	93643 (4505)
Overall redundancy†	3.4 (3.3)	9.2 (5.3)
Completeness† (%)	80.2 (68.1)	99.8 (96.9)
R merge † (%)	14.1 (38.3)	4.1 (127.3)
R p.i.m. (I)† (%)	7.9 (21.5)	1.4 (59.8)
〈I/σ(I) 〉†	5.8 (2.9)	24.4 (1.2)
CC1/2 † (%)	98.7 (82.6)	100.0 (46.5)

^†Numbers in parentheses refer to the highest resolution bin.