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. 2018 Nov 27;74(Pt 12):1878–1880. doi: 10.1107/S2056989018016584

Table 3. Experimental details.

Crystal data
Chemical formula (C18H26N2)3[Pb4I14(C2H6OS)2]·2C2H6OS
M r 1864.54
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 296
a, b, c (Å) 11.5011 (10), 14.2262 (13), 16.2969 (14)
α, β, γ (°) 80.305 (1), 78.449 (1), 81.753 (1)
V3) 2558.5 (4)
Z 2
Radiation type Mo Kα
μ (mm−1) 10.90
Crystal size (mm) 0.55 × 0.50 × 0.09
 
Data collection
Diffractometer Bruker APEX3 CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 2017)
T min, T max 0.065, 0.440
No. of measured, independent and observed [I > 2σ(I)] reflections 24466, 8975, 8219
R int 0.040
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.034, 0.099, 1.07
No. of reflections 8975
No. of parameters 432
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 2.47, −1.72

Computer programs: APEX3 and SAINT (Bruker, 2017), SHELXTL (Sheldrick, 2008).