Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C22H48N4 4+·4Cl−·4H2O |
| M r | 582.50 |
| Crystal system, space group | Monoclinic, P21/n |
| Temperature (K) | 220 |
| a, b, c (Å) | 7.6550 (15), 23.533 (5), 8.3130 (17) |
| β (°) | 102.45 (3) |
| V (Å3) | 1462.3 (5) |
| Z | 2 |
| Radiation type | Synchrotron, λ = 0.610 Å |
| μ (mm−1) | 0.29 |
| Crystal size (mm) | 0.08 × 0.07 × 0.04 |
| Data collection | |
| Diffractometer | Rayonix MX225HS CCD area detector |
| Absorption correction | Empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski et al., 2003 ▸) |
| T min, T max | 0.868, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 14961, 4016, 3517 |
| R int | 0.038 |
| (sin θ/λ)max (Å−1) | 0.693 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.035, 0.105, 1.09 |
| No. of reflections | 4016 |
| No. of parameters | 167 |
| No. of restraints | 6 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.41, −0.22 |