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. 2018 Nov 9;74(Pt 12):1755–1758. doi: 10.1107/S2056989018015293

Table 2. Experimental details.

Crystal data
Chemical formula (C10H8S8)2[Cu(CNS)4]·2C10H8S8
M r 1834.43
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 16.9036 (17), 21.004 (2), 9.6205 (9)
β (°) 103.071 (3)
V3) 3327.1 (6)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.50
Crystal size (mm) 0.18 × 0.16 × 0.02
 
Data collection
Diffractometer Bruker Kappa APEXII Quazar CCD
Absorption correction Multi-scan (SADABS; Bruker, 2012)
T min, T max 0.652, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 48335, 5028, 3816
R int 0.070
θmax (°) 23.7
(sin θ/λ)max−1) 0.566
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.032, 0.078, 1.02
No. of reflections 5028
No. of parameters 385
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.38, −0.39

Computer programs: APEX2 and SAINT (Bruker, 2012), SHELXS97 (Sheldrick, 2008), SHELXL2018 (Sheldrick, 2015), Mercury (Macrae et al., 2006) and WinGX (Farrugia, 2012).