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. 2024 Jul 12;9(Pt 7):x240665. doi: 10.1107/S2414314624006655

Table 2. Experimental details.

Crystal data
Chemical formula [ZnCl(C23H30N4)]NO3
M r 525.34
Crystal system, space group Monoclinic, P21/c
Temperature (K) 93
a, b, c (Å) 15.9086 (1), 7.8088 (1), 19.5342 (2)
β (°) 106.157 (1)
V3) 2330.83 (4)
Z 4
Radiation type Cu Kα
μ (mm−1) 2.81
Crystal size (mm) 0.35 × 0.25 × 0.12
 
Data collection
Diffractometer Rigaku XtaLAB Synergy-i
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2022)
Tmin, Tmax 0.619, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 21217, 4271, 4097
R int 0.027
(sin θ/λ)max−1) 0.603
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.041, 0.110, 1.05
No. of reflections 4271
No. of parameters 298
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.65, −0.68

Computer programs: CrysAlis PRO (Rigaku OD, 2022), SHELXT (Sheldrick, 2015a), SHELXL (Sheldrick, 2015b), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).