TABLE 1.
Crystallographic data of KDFTFSI and KTFSI salts.
| Compound | KDFTFSI | KTFSI a |
|---|---|---|
| Formula | K [(CF3SO2)(CHF2SO2)N] | K[(CF3SO2)2N] |
| Molecular weight (g mol−1) | 301.26 | 319.25 |
| Crystal size (nm3) | 0.576 × 0.373 × 0.118 | 0.3 × 0.3 × 0.3 |
| Crystal system | orthorhombic | orthorhombic |
| Space group (No.) | Pbcn (No. 60) | Pbcn (No. 60) |
| a (Å) | 21.8280 (6) | 22.346 (7) |
| b (Å) | 13.3610 (3) | 13.541 (3) |
| c (Å) | 12.4932 (4) | 12.860 (3) |
| α (°) | 90.0 | 90.0 |
| β (°) | 90.0 | 90.0 |
| γ (°) | 90.0 | 90.0 |
| Volume (Å3) | 3,643.59 (18) | 3,891 (1) |
| Z | 16 | 16 |
| Diffractometer | Atlas | Siemens R3mV |
| Temperature (K) | 150 | 295 ± 1 |
| 2θ range for data collection (°) | 7.758–137.972 | 1.76–22.56 (θ range) |
| µ (mm−1) | 10.318 | 1.07 |
| Refls meas | 25,930 | 2,560 |
| Refls uniq (Rmerg) | 3,391 | 2,560 (0.0) |
| R1 | 0.0754 | 0.0478 (0.0996) |
| ω R2 | 0.2006 | 0.0884 (0.0935) |
a
The crystallographic data of KTFSI, is obtained from (Xue et al., 2002).