Skip to main content
. 2021 Oct 21;77(Pt 11):1130–1134. doi: 10.1107/S2056989021010616

Table 2. Experimental details.

Crystal data
Chemical formula [Co(C9H10N3O2S)2]2(S2O6)·4C3H7NO·3CH4O
M r 1563.53
Crystal system, space group Triclinic, P\overline{1}
Temperature (K) 133
a, b, c (Å) 13.0652 (8), 14.1171 (9), 19.9233 (12)
α, β, γ (°) 93.179 (2), 106.381 (2), 99.884 (2)
V3) 3452.2 (4)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.74
Crystal size (mm) 0.46 × 0.14 × 0.05
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.632, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 51207, 12244, 8043
R int 0.077
(sin θ/λ)max−1) 0.596
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.071, 0.203, 1.02
No. of reflections 12244
No. of parameters 896
No. of restraints 7
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.08, −0.66

Computer programs: APEX2 and SAINT (Bruker, 2008), SHELXT (Sheldrick, 2015a ), SHELXL2016/4 (Sheldrick, 2015b ), SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010).