Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [Fe(C4H3ClN2)2(H2O)4](C7H7O3S)2 |
| M r | 699.35 |
| Crystal system, space group | Monoclinic, C2/m |
| Temperature (K) | 133 |
| a, b, c () | 30.691(3), 6.7321(3), 6.9435(6) |
| () | 99.811(7) |
| V (3) | 1413.63(19) |
| Z | 2 |
| Radiation type | Mo K |
| (mm1) | 0.93 |
| Crystal size (mm) | 0.26 0.14 0.06 |
| Data collection | |
| Diffractometer | Stoe IPDS II |
| Absorption correction | Numerical (X-RED; Stoe Cie, 2002 ▸) |
| T min, T max | 0.697, 0.925 |
| No. of measured, independent and observed [I > 2(I)] reflections | 9102, 1630, 1380 |
| R int | 0.066 |
| (sin /)max (1) | 0.633 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.028, 0.067, 1.00 |
| No. of reflections | 1630 |
| No. of parameters | 126 |
| No. of restraints | 2 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| max, min (e 3) | 0.38, 0.36 |