| 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 |
| V (Å3) | 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 (Å−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 |