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. 2026 Jan 16;82(Pt 2):168–172. doi: 10.1107/S2056989026000228

Table 2. Experimental details.

Crystal data
Chemical formula [Cu(C11H15N3S2)(C18H15P)2]NO3·CCl4
M r 1057.28
Crystal system, space group Monoclinic, P21/n
Temperature (K) 293
a, b, c (Å) 10.8364 (18), 22.358 (4), 20.107 (4)
β (°) 98.146 (7)
V3) 4822.4 (16)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.87
Crystal size (mm) 0.30 × 0.22 × 0.20
 
Data collection
Diffractometer Bruker D8 VENTURE CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
Tmin, Tmax 0.780, 0.845
No. of measured, independent and observed [I > 2σ(I)] reflections 85779, 8478, 6143
R int 0.097
(sin θ/λ)max−1) 0.595
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.055, 0.168, 1.04
No. of reflections 8478
No. of parameters 590
No. of restraints 52
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.57, −0.91

Computer programs: APEX3 and SAINT), SHELXT2018/2 (Sheldrick, 2015a), SHELXL2019/2 (Sheldrick, 2015b), Mercury (Macrae et al., 2020) and publCIF(Westrip, 2010).