Table 1. Experimental details.
| Crystal data | |
| Chemical formula | [FeNi(C10H15)(C11H18S4)(CO)]PF6 |
| M r | 701.25 |
| Crystal system, space group | Orthorhombic, P b c n |
| Temperature (K) | 150 |
| a, b, c (Å) | 15.4081 (3), 18.3762 (3), 19.2154 (3) |
| V (Å3) | 5440.69 (16) |
| Z | 8 |
| Radiation type | Mo Kα |
| μ (mm−1) | 1.65 |
| Crystal size (mm) | 0.20 × 0.18 × 0.12 |
| Data collection | |
| Diffractometer | Nonius KappaCCD |
| Absorption correction | Multi-scan (SORTAV; Blessing, 1995 ▸) |
| T min, T max | 0.759, 0.850 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 38285, 6224, 3874 |
| R int | 0.079 |
| (sin θ/λ)max (Å−1) | 0.649 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.052, 0.148, 1.07 |
| No. of reflections | 6224 |
| No. of parameters | 335 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 1.12, −0.73 |