Table 2. Experimental details.
Experiments were carried out with Mo Kα radiation. All H-atom parameters were refined.
| (NH4)Mg(HSO4)(SO4)(H2O)2 at 100 K | (NH4)MgH(SO4)2(H2O)2 at 296 K | NaSc(CrO4)2(H2O)2 | |
|---|---|---|---|
| Crystal data | |||
| Chemical formula | (NH4)Mg(HSO4)(SO4)(H2O)2 | (NH4)Mg(HSO4)(SO4)(H2O)2 | NaSc(CrO4)2(H2O)2 |
| M r | 271.51 | 271.51 | 335.98 |
| Crystal system, space group | Triclinic, P\overline{1} | Triclinic, P\overline{1} | Monoclinic, C2/c |
| Temperature (K) | 100 | 296 | 293 |
| a, b, c (Å) | 7.0631 (7), 7.7065 (7), 8.3372 (8) | 4.6771 (1), 5.7697 (1), 8.3697 (2) | 14.505 (3), 5.563 (1), 10.763 (2) |
| α, β, γ (°) | 84.603 (3), 73.339 (3), 77.387 (3) | 104.208 (1), 98.189 (1), 94.508 (1) | 90, 109.82 (3), 90 |
| V (Å3) | 424.03 (7) | 215.20 (1) | 817.0 (3) |
| Z | 2 | 1 | 4 |
| μ (mm−1) | 0.75 | 0.73 | 3.51 |
| Crystal size (mm) | 0.12 × 0.09 × 0.02 | 0.12 × 0.09 × 0.01 | 0.17 × 0.10 × 0.03 |
| Data collection | |||
| Diffractometer | Bruker APEXII CCD | Bruker APEXII CCD | Nonius KappaCCD |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) | Multi-scan (SADABS; Krause et al., 2015 ▸) | Multi-scan (SCALEPACK; Otwinowski et al., 2003 ▸) |
| T min, T max | 0.708, 0.747 | 0.699, 0.747 | 0.755, 0.949 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 30998, 4431, 3120 | 11147, 1940, 1843 | 3418, 1783, 1372 |
| R int | 0.051 | 0.024 | 0.017 |
| (sin θ/λ)max (Å−1) | 0.864 | 0.812 | 0.805 |
| Refinement | |||
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.033, 0.081, 1.02 | 0.019, 0.054, 1.18 | 0.027, 0.081, 1.08 |
| No. of reflections | 4431 | 1940 | 1783 |
| No. of parameters | 163 | 95 | 75 |
| No. of restraints | 0 | 0 | 2 |
| Δρmax, Δρmin (e Å−3) | 0.52, −0.54 | 0.30, −0.47 | 1.06, −0.69 |