| Crystal data |
| Chemical formula |
H3O+·C2F6NO4S2
−·C12H24O6
|
|
M
r
|
563.48 |
| Crystal system, space group |
Monoclinic, P21
|
| Temperature (K) |
113 |
|
a, b, c (Å) |
8.8341 (4), 24.3932 (9), 11.6111 (5) |
| β (°) |
108.086 (2) |
|
V (Å3) |
2378.47 (17) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.32 |
| Crystal size (mm) |
0.50 × 0.30 × 0.20 |
| |
| Data collection |
| Diffractometer |
Rigaku R-AXIS RAPID-II |
| Absorption correction |
Multi-scan (ABSCOR; Higashi, 1995 ▸) |
|
T
min, T
max
|
0.768, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
20448, 9354, 8989 |
|
R
int
|
0.027 |
| (sin θ/λ)max (Å−1) |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.062, 0.162, 1.10 |
| No. of reflections |
9354 |
| No. of parameters |
669 |
| No. of restraints |
217 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.00, −0.54 |
| Absolute structure |
Refined as an inversion twin |
| Absolute structure parameter |
0.45 (13) |
