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. 2021 Jul 16;77(Pt 8):814–818. doi: 10.1107/S2056989021007192

Table 4. Experimental details.

Crystal data
Chemical formula C22H14Cl4N4
M r 476.17
Crystal system, space group Monoclinic, P21/c
Temperature (K) 296
a, b, c (Å) 16.0289 (10), 13.1213 (8), 11.1286 (7)
β (°) 108.073 (2)
V3) 2225.1 (2)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.55
Crystal size (mm) 0.44 × 0.26 × 0.12
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.621, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 24362, 4399, 3193
R int 0.044
(sin θ/λ)max−1) 0.626
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.046, 0.112, 1.01
No. of reflections 4399
No. of parameters 271
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.24, −0.25

Computer programs: APEX3 and SAINT (Bruker, 2007), SHELXT2016/6 (Sheldrick, 2015a ), SHELXL2016/6 (Sheldrick, 2015b ), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020).