Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C10H10N2S2 2+·Cl−·I3 − |
| M r | 638.47 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 120 |
| a, b, c (Å) | 12.9631 (11), 11.3802 (5), 13.1675 (11) |
| β (°) | 117.624 (6) |
| V (Å3) | 1721.1 (2) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 5.83 |
| Crystal size (mm) | 0.32 × 0.22 × 0.06 |
| Data collection | |
| Diffractometer | Bruker-Nonius 95mm CCD camera on κ-goniostat |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| T min, T max | 0.632, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 16769, 3959, 3621 |
| R int | 0.027 |
| (sin θ/λ)max (Å−1) | 0.651 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.022, 0.046, 1.13 |
| No. of reflections | 3959 |
| No. of parameters | 170 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.74, −0.80 |