Table 1.
Crystal structure data for In-MeSH.
| crystal data | |
| chemical formula | C12H36In6S12 |
| Mr | 1254.05 |
| crystal system, space group | Trigonal, R-3 |
| temperature (K) | 150.01 |
| a, c (Å) | 17.6543 (8), 8.7083 (4) |
| V (Å3) | 2350.5 (2) |
| Z | 3.0 |
| radiation type, λ (Å) | Mo Kα, 0.71073 |
| μ (mm−1) | 0.90 |
| F (000) | 1782.0 |
| Dx (Mg m−3) | 2.658 |
| Θmin., Θmax. (°) | 3.5, 29.1 |
| data collection | |
| diffractometer | SuperNova-Duo, Atlas diffractometer |
| absorption correction | Multi-scan CrysAlisPro SCALE3 ABSPACK |
| Tmin., Tmax. | 0.933, 1.0000 |
| measured reflections | 4331 |
| independent reflections | 1326 [Rint = 0.0209, Rsigma = 0.0233] |
| reflections with I > 2σ(I) | 1225 |
| refinement | |
| R[F2 > 2σ(F2)] | 0.0240 |
| wR(F2) | 0.1071 |
| S | 1.12 |
| data/restraints/parameters | 1326/0/48 |
| hydrogen treatment | H-atom parameters constrained |
| largest diff. peak/hole (e Å−3) | 0.82/−0.58 |