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. 2024 Jan 1;80(Pt 1):22–24. doi: 10.1107/S2056989023010411

Table 2. Experimental details.

Crystal data
Chemical formula [Li2(C12H8O6S2)(H2O)2]
M r 362.22
Crystal system, space group Monoclinic, P21/c
Temperature (K) 286
a, b, c (Å) 15.8584 (11), 5.3693 (4), 8.8636 (6)
β (°) 99.994 (7)
V3) 743.27 (9)
Z 2
Radiation type Mo Kα
μ (mm−1) 0.40
Crystal size (mm) 0.50 × 0.40 × 0.20
 
Data collection
Diffractometer Rigaku R-AXIS RAPID
Absorption correction Multi-scan (ABSCOR; Rigaku, 1995)
T min, T max 0.213, 0.924
No. of measured, independent and observed [F 2 > 2.0σ(F 2)] reflections 9858, 1666, 1490
R int 0.067
(sin θ/λ)max−1) 0.649
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.061, 0.159, 1.12
No. of reflections 1666
No. of parameters 133
No. of restraints 3
H-atom treatment All H-atom parameters refined
Δρmax, Δρmin (e Å−3) 0.74, −0.28

Computer programs: RAPID-AUTO (Rigaku, 1995), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ) and CrystalStructure (Rigaku, 2019).