Skip to main content
. 2020 May 15;76(Pt 6):820–825. doi: 10.1107/S2056989020006155

Table 2. Experimental details.

Crystal data
Chemical formula [Cu(C15HF10O2)2]·3(C6H6O2S)
M r 1296.36
Crystal system, space group Monoclinic, P21/c
Temperature (K) 100
a, b, c (Å) 7.7343 (3), 46.8973 (16), 13.2580 (5)
β (°) 99.211 (1)
V3) 4746.9 (3)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.73
Crystal size (mm) 0.17 × 0.17 × 0.11
 
Data collection
Diffractometer Bruker D8 Goniometer
Absorption correction Multi-scan (SADABS; Bruker, 2018)
T min, T max 0.88, 0.93
No. of measured, independent and observed [I > 2σ(I)] reflections 54634, 8367, 7663
R int 0.042
(sin θ/λ)max−1) 0.595
 
Refinement
R[F 2 > 2σ(F 2)], wR(F 2), S 0.049, 0.106, 1.06
No. of reflections 8367
No. of parameters 821
No. of restraints 236
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.74, −1.69

Computer programs: APEX3 (Bruker, 2018), SAINT (Bruker, 2018), SHELXT2014/5 (Sheldrick, 2015a ), SHELXL2018/3 (Sheldrick, 2015b ) and shelXle (Hübschle et al., 2011).