Skip to main content
. 2025 Jan 1;81(Pt 1):31–37. doi: 10.1107/S2053229624011653
  VI VII
Crystal data
Chemical formula C6H9O4+·BF4·2HF 0.5C6H10O42+·Sb2F11
M r 271.96 525.57
Crystal system, space group Orthorhombic, Pbca Orthorhombic, Pbca
tem­per­a­ture (K) 101 101
a, b, c (Å) 12.8759 (5), 11.8899 (4), 14.6252 (7) 7.8461 (6), 15.1531 (11), 19.5536 (17)
α, β, γ (°) 90, 90, 90 90, 90, 90
V3) 2239.02 (16) 2324.8 (3)
Z 8 8
μ (mm−1) 0.19 4.79
Crystal size (mm) 0.28 × 0.18 × 0.11 0.25 × 0.11 × 0.05
 
Data collection
Tmin, Tmax 0.885, 1.000 0.807, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections 7514, 1717, 1478 13316, 3784, 2878
R int 0.026 0.053
θmax (°) 23.8 32.2
(sin θ/λ)max−1) 0.568 0.750
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.040, 0.100, 1.05 0.036, 0.071, 1.04
No. of reflections 1717 3784
No. of parameters 176 169
No. of restraints 1 0
H-atom treatment H atoms treated by a mixture of independent and constrained refinement H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.77, −0.35 1.09, −1.01

com­puter programs: CrysAlis PRO (Rigaku OD, 2020), SHELXT (Sheldrick, 2015a), SHELXL2018 (Sheldrick, 2015b), ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020).