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. 2025 Jan 1;81(Pt 1):63–68. doi: 10.1107/S2056989024011939

Table 4. Experimental details.

Crystal data
Chemical formula [Co(C5H5N2O2S2)2(H2O)4]
M r 509.45
Crystal system, space group Monoclinic, P21/c
Temperature (K) 293
a, b, c (Å) 5.1950 (2), 10.0347 (3), 18.9090 (6)
β (°) 91.892 (3)
V3) 985.19 (6)
Z 2
Radiation type Cu Kα
μ (mm−1) 11.23
Crystal size (mm) 0.08 × 0.06 × 0.04
 
Data collection
Diffractometer Xcalibur, Ruby
Absorption correction Multi-scan (CrysAlis PRO; Rigaku OD, 2021)
Tmin, Tmax 0.808, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 6554, 2023, 1770
R int 0.055
(sin θ/λ)max−1) 0.630
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.038, 0.098, 1.06
No. of reflections 2023
No. of parameters 137
No. of restraints 1
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.34, −0.27

Computer programs: CrysAlis PRO (Rigaku OD, 2021), SHELXT (Sheldrick, 2015a), SHELXL (Sheldrick, 2015b), OLEX2 (Dolomanov et al., 2009) and publCIF (Westrip, 2010).