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. 2023 Jan 1;79(Pt 1):38–43. doi: 10.1107/S2056989022011884

Table 2. Experimental details.

Crystal data
Chemical formula [Eu(C7H5O2S)3(H2O)3]·3C7H6O2S
M r 1128.05
Crystal system, space group Trigonal, R3
Temperature (K) 296
a, c (Å) 26.5369 (6), 5.9386 (1)
V3) 3621.72 (17)
Z 3
Radiation type Mo Kα
μ (mm−1) 1.62
Crystal size (mm) 0.28 × 0.22 × 0.12
 
Data collection
Diffractometer Bruker D8 QUEST CMOS
Absorption correction Multi-scan (SADABS; Krause et al., 2015)
T min, T max 0.690, 0.746
No. of measured, independent and observed [I > 2σ(I)] reflections 54319, 4921, 4921
R int 0.036
(sin θ/λ)max−1) 0.715
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.015, 0.032, 1.07
No. of reflections 4921
No. of parameters 252
No. of restraints 88
H-atom treatment H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.21, −0.25
Absolute structure Flack x determined using 2459 quotients [(I +)−(I )]/[(I +)+(I )] (Parsons et al., 2013)
Absolute structure parameter −0.024 (2)

Computer programs: APEX4 and SAINT (Bruker, 2019), SHELXT (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ), and OLEX2 (Dolomanov et al., 2009).