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. 2021 Oct 13;6(Pt 10):x211043. doi: 10.1107/S2414314621010439

Table 2. Experimental details.

Crystal data
Chemical formula C10H8Cl2O4
M r 263.06
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 173
a, b, c (Å) 7.0204 (6), 7.7661 (6), 10.5392 (8)
α, β, γ (°) 97.733 (1), 109.293 (1), 90.217 (1)
V3) 536.69 (7)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.60
Crystal size (mm) 0.35 × 0.29 × 0.28
 
Data collection
Diffractometer Bruker APEX CCD area detector
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.838, 0.927
No. of measured, independent and observed [I > 2σ(I)] reflections 5934, 2582, 2417
R int 0.031
(sin θ/λ)max−1) 0.668
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.026, 0.073, 1.04
No. of reflections 2582
No. of parameters 147
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.45, −0.21

Computer programs: APEX2 and SAINT (Bruker, 2016), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2014/7 (Sheldrick, 2015b ) and OLEX2 (Dolomanov et al., 2009).