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. 2022 Feb 3;78(Pt 3):270–274. doi: 10.1107/S2056989022001074

Table 3. Experimental details.

Crystal data
Chemical formula [Co3(SbS4)2(C10H24N4)3]·2C2H3N·2H2O
M r 1395.90
Crystal system, space group Triclinic, P Inline graphic
Temperature (K) 200
a, b, c (Å) 8.7292 (3), 12.9680 (5), 13.8936 (5)
α, β, γ (°) 66.218 (3), 77.035 (3), 83.321 (3)
V3) 1401.93 (9)
Z 1
Radiation type Mo Kα
μ (mm−1) 2.16
Crystal size (mm) 0.15 × 0.10 × 0.07
 
Data collection
Diffractometer Stoe IPDS2
Absorption correction Numerical (X-RED and X-SHAPE; Stoe, 2008)
T min, T max 0.649, 0.774
No. of measured, independent and observed [I > 2σ(I)] reflections 15304, 6098, 5078
R int 0.030
(sin θ/λ)max−1) 0.639
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.047, 0.126, 1.06
No. of reflections 6098
No. of parameters 321
No. of restraints 87
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 0.81, −1.56

Computer programs: X-AREA (Stoe, 2008), SHELXT (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), DIAMOND (Brandenburg, 1999) and publCIF (Westrip, 2010).