| Crystal data |
| Chemical formula |
2C5H6N+·C17H8F6O4
2−·C17H10F6O4
|
C2H10N2
2+·C17H8F6O4
2−·H2O |
|
M
r
|
471.35 |
470.37 |
| Crystal system, space group |
Monoclinic, P21/c
|
Orthorhombic, P
b
c
a
|
| Temperature (K) |
93 |
93 |
|
a, b, c (Å) |
25.5453 (7), 13.4125 (4), 11.8879 (4) |
13.2518 (3), 12.1773 (3), 25.8419 (6) |
| α, β, γ (°) |
90, 91.644 (3), 90 |
90, 90, 90 |
|
V (Å3) |
4071.4 (2) |
4170.14 (17) |
|
Z
|
4 |
8 |
| Radiation type |
Cu Kα |
Cu Kα |
| μ (mm−1) |
1.25 |
1.26 |
| Crystal size (mm) |
0.3 × 0.25 × 0.05 |
0.22 × 0.1 × 0.05 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy R, DW system, HyPix |
XtaLAB Synergy R, DW system, HyPix |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
T
min, T
max
|
0.743, 0.940 |
0.855, 0.940 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
30654, 8170, 7361 |
15896, 4198, 3809 |
|
R
int
|
0.031 |
0.029 |
| (sin θ/λ)max (Å−1) |
0.630 |
0.630 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.033, 0.087, 1.03 |
0.032, 0.082, 1.04 |
| No. of reflections |
8170 |
4198 |
| No. of parameters |
597 |
294 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.71, −0.47 |
0.29, −0.24 |
