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. 2018 Jan 19;74(Pt 2):176–179. doi: 10.1107/S2056989018000555

Table 2. Experimental details.

Crystal data
Chemical formula [Zn(C4H11N2)2(S2O3)2]·2H2O
M r 499.94
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 293
a, b, c (Å) 8.7631 (1), 10.5623 (2), 11.6072 (2)
α, β, γ (°) 113.736 (1), 98.761 (1), 91.472 (1)
V3) 967.49 (3)
Z 2
Radiation type Mo Kα
μ (mm−1) 1.74
Crystal size (mm) 0.22 × 0.18 × 0.16
 
Data collection
Diffractometer Bruker SMART APEX CCD area detector
Absorption correction Multi-scan (SADABS; Bruker, 2000)
T min, T max 0.700, 0.768
No. of measured, independent and observed [I > 2σ(I)] reflections 19938, 7607, 5927
R int 0.027
(sin θ/λ)max−1) 0.782
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.032, 0.079, 1.01
No. of reflections 7607
No. of parameters 266
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.47, −0.36

Computer programs: SMART and SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL2016/6 (Sheldrick, 2015), ORTEP-3 for Windows (Farrugia, 2012), PLATON (Spek, 2009) and publCIF (Westrip, 2010).