Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C6H5N3S3 |
| M r | 215.31 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 296 |
| a, b, c (Å) | 10.6463 (2), 7.7151 (2), 11.1774 (3) |
| β (°) | 103.272 (1) |
| V (Å3) | 893.56 (4) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.77 |
| Crystal size (mm) | 0.13 × 0.1 × 0.06 |
| Data collection | |
| Diffractometer | Bruker D8 VENTURE Kappa Duo PHOTON II CPAD |
| Absorption correction | Multi-scan (SADABS; Krause et al., 2015 ▸) |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 18027, 2296, 1988 |
| R int | 0.052 |
| (sin θ/λ)max (Å−1) | 0.677 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.034, 0.088, 1.05 |
| No. of reflections | 2296 |
| No. of parameters | 110 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.50, −0.48 |