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. 2020 Jan 1;76(Pt 1):42–47. doi: 10.1107/S2056989019016359

Table 4. Experimental details.

Crystal data
Chemical formula [Ag2(SCN)2(C2H3N3S)4]
M r 736.44
Crystal system, space group Monoclinic, P21/n
Temperature (K) 100
a, b, c (Å) 4.8718 (1), 15.9511 (1), 13.9575 (1)
β (°) 96.945 (1)
V3) 1076.69 (2)
Z 2
Radiation type Cu Kα
μ (mm−1) 20.35
Crystal size (mm) 0.41 × 0.14 × 0.11
 
Data collection
Diffractometer Rigaku Oxford Diffraction SuperNova, Dual, Cu at zero, AtlasS2
Absorption correction Gaussian (CrysAlis PRO; Rigaku OD, 2015)
T min, T max 0.097, 0.453
No. of measured, independent and observed [I > 2σ(I)] reflections 18122, 2266, 2242
R int 0.039
(sin θ/λ)max−1) 0.633
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.025, 0.066, 1.17
No. of reflections 2266
No. of parameters 163
No. of restraints 10
H-atom treatment Only H-atom coordinates refined
Δρmax, Δρmin (e Å−3) 0.96, −1.04

Computer programs: CrysAlis PRO (Rigaku OD, 2015), SHELXT (Sheldrick, 2015), SHELXL2014/7 (Sheldrick, 2015), Mercury (Macrae et al., 2008), DIAMOND (Brandenburg, 2006), WinGX (Farrugia, 2012) and publCIF (Westrip, 2010).