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. 2022 Apr 22;78(Pt 5):506–509. doi: 10.1107/S2056989022004200

Table 1. Experimental details.

Crystal data
Chemical formula C26H22N2·C6Cl4I2
M r 830.11
Crystal system, space group Monoclinic, P21/n
Temperature (K) 100
a, b, c (Å) 9.6519 (6), 28.3120 (16), 11.1909 (6)
β (°) 92.154 (1)
V3) 3055.9 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 2.43
Crystal size (mm) 0.55 × 0.23 × 0.17
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2014)
T min, T max 0.690, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 39572, 6730, 6601
R int 0.024
(sin θ/λ)max−1) 0.641
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.056, 0.118, 1.39
No. of reflections 6730
No. of parameters 361
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.85, −1.11

Computer programs: SMART and SAINT (Bruker, 2014), SHELXT2018/2 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ) and X-SEED (Barbour, 2020).