Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Ru(C7H6N4)3](PF6)2·3H2O |
| M r | 883.49 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 150 |
| a, b, c (Å) | 13.0162 (5), 13.6078 (5), 18.3382 (7) |
| β (°) | 99.937 (2) |
| V (Å3) | 3199.4 (2) |
| Z | 4 |
| Radiation type | Cu Kα |
| μ (mm−1) | 6.02 |
| Crystal size (mm) | 0.10 × 0.07 × 0.07 |
| Data collection | |
| Diffractometer | Bruker APEX CCD detector |
| Absorption correction | Multi-scan (SADABS; Bruker, 2010 ▸) |
| T min, T max | 0.625, 0.753 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 25003, 5754, 4930 |
| R int | 0.039 |
| (sin θ/λ)max (Å−1) | 0.605 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.079, 0.229, 1.08 |
| No. of reflections | 5754 |
| No. of parameters | 460 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 3.62, −0.58 |