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. 2026 Jan 27;11(Pt 1):x260063. doi: 10.1107/S2414314626000635

Table 2. Experimental details.

Crystal data
Chemical formula C8H8N4Se2
M r 318.10
Crystal system, space group Monoclinic, I2/a
Temperature (K) 120
a, b, c (Å) 11.746 (2), 8.1617 (10), 10.0922 (15)
β (°) 97.121 (14)
V3) 960.1 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 7.66
Crystal size (mm) 0.48 × 0.09 × 0.04
 
Data collection
Diffractometer STOE IPDS 2T
Absorption correction Integration
Tmin, Tmax 0.468, 0.893
No. of measured, independent and observed [I > 2σ(I)] reflections 2481, 1144, 930
R int 0.037
(sin θ/λ)max−1) 0.663
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.056, 0.148, 1.10
No. of reflections 1144
No. of parameters 64
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.04, −1.75

Computer programs: X-AREAWinXpose (Stoe & Cie, 2020), X-AREARecipe (Stoe & Cie, 2020), X-AREAIntegrate (Stoe & Cie, 2020), SHELXT2014 (Sheldrick, 2015a), SHELXL2019 (Sheldrick, 2015b) and PLATON (Spek, 2020).