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. 2019 Apr 25;75(Pt 5):703–706. doi: 10.1107/S2056989019005486

Table 2. Experimental details.

Crystal data
Chemical formula C8Br4N2
M r 443.74
Crystal system, space group Monoclinic, C2/m
Temperature (K) 100
a, b, c (Å) 7.8500 (6), 9.8330 (8), 6.7540 (6)
β (°) 90.202 (4)
V3) 521.33 (7)
Z 2
Radiation type Mo Kα
μ (mm−1) 15.40
Crystal size (mm) 0.15 × 0.06 × 0.03
 
Data collection
Diffractometer Bruker VENTURE PHOTON-II area detector
Absorption correction Multi-scan (SADABS; Sheldrick, 1996)
T min, T max 0.253, 0.494
No. of measured, independent and observed [I > 2σ(I)] reflections 3324, 837, 741
R int 0.063
(sin θ/λ)max−1) 0.715
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.029, 0.072, 1.04
No. of reflections 837
No. of parameters 38
Δρmax, Δρmin (e Å−3) 1.09, −1.01

Computer programs: APEX2 and SAINT (Bruker, 2012), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), Mercury (Macrae et al., 2008) and publCIF (Westrip, 2010).