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. 2017 Jul 13;73(Pt 8):1162–1166. doi: 10.1107/S2056989017010179

Table 3. Experimental details.

Crystal data
Chemical formula [Zn(C9H11N2S2)2]·0.5C6H7N
M r 534.57
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 98
a, b, c (Å) 9.419 (2), 15.299 (4), 17.149 (4)
α, β, γ (°) 88.871 (9), 83.914 (8), 75.766 (6)
V3) 2381.8 (10)
Z 4
Radiation type Mo Kα
μ (mm−1) 1.40
Crystal size (mm) 0.30 × 0.20 × 0.08
 
Data collection
Diffractometer AFC12K/SATURN724
Absorption correction Multi-scan (ABSCOR; Higashi, 1995)
T min, T max 0.549, 1
No. of measured, independent and observed [I > 2σ(I)] reflections 13748, 9827, 8634
R int 0.037
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.053, 0.120, 1.14
No. of reflections 9827
No. of parameters 555
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.55, −0.81

Computer programs: CrystalClear (Molecular Structure Corporation & Rigaku, 2005), SHELXS (Sheldrick, 2008), SHELXL2014 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012), DIAMOND (Brandenburg, 2006) and publCIF (Westrip, 2010).