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. 2021 Jul 9;77(Pt 8):775–779. doi: 10.1107/S2056989021006952

Table 3. Experimental details.

Crystal data
Chemical formula C24H16Cl12N2O4
M r 821.79
Crystal system, space group Monoclinic, P21/c
Temperature (K) 150
a, b, c (Å) 8.9549 (3), 10.5908 (4), 16.6043 (6)
β (°) 103.499 (1)
V3) 1531.24 (10)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.12
Crystal size (mm) 0.34 × 0.32 × 0.28
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.684, 0.736
No. of measured, independent and observed [I > 2σ(I)] reflections 12567, 3403, 3141
R int 0.023
(sin θ/λ)max−1) 0.643
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.021, 0.053, 1.04
No. of reflections 3403
No. of parameters 190
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.33, −0.24

Computer programs: APEX2 and SAINT (Bruker, 2007), SHELXT (Sheldrick, 2015a ), SHELXL (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020).