Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Zn(C10H8NO3S)2(C12H8N2)(H2O)]·H2O |
| M r | 726.07 |
| Crystal system, space group | Triclinic, P
|
| Temperature (K) | 291 |
| a, b, c (Å) | 6.9071 (3), 14.8406 (7), 16.3048 (7) |
| α, β, γ (°) | 110.602 (4), 94.604 (3), 90.039 (4) |
| V (Å3) | 1558.65 (13) |
| Z | 2 |
| Radiation type | Cu Kα |
| μ (mm−1) | 2.86 |
| Crystal size (mm) | 0.3 × 0.22 × 0.14 |
| Data collection | |
| Diffractometer | Xcalibur, Ruby |
| Absorption correction | Multi-scan (CrysAlis PRO; Agilent, 2014 ▸) |
| Tmin, Tmax | 0.772, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 11088, 6306, 5486 |
| R int | 0.026 |
| (sin θ/λ)max (Å−1) | 0.630 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.039, 0.109, 1.04 |
| No. of reflections | 6306 |
| No. of parameters | 436 |
| No. of restraints | 2 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.34, −0.41 |