Table 2. Experimental details.
| Crystal data | |
| Chemical formula | [Zn(C6H12NO4)2]·H2O |
| M r | 407.74 |
| Crystal system, space group | Monoclinic, P21/c |
| Temperature (K) | 100 |
| a, b, c (Å) | 19.0518 (11), 12.1167 (7), 7.1255 (5) |
| β (°) | 99.961 (5) |
| V (Å3) | 1620.09 (18) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 1.57 |
| Crystal size (mm) | 0.5 × 0.22 × 0.17 |
| Data collection | |
| Diffractometer | Enraf–Nonius KappaCCD |
| Absorption correction | Numerical [analytical numeric absorption correction with PLATON (Spek, 2020 ▸), using a multifaceted crystal model (de Meulenaer & Tompa, 1965 ▸)] |
| Tmin, Tmax | 0.462, 0.765 |
| No. of measured, independent and observed [I ≥ 2u(I)] reflections | 16916, 3710, 3003 |
| R int | 0.026 |
| (sin θ/λ)max (Å−1) | 0.650 |
| Refinement | |
| R[F2 > 2σ(F2)], wR(F2), S | 0.025, 0.056, 1.05 |
| No. of reflections | 3710 |
| No. of parameters | 248 |
| No. of restraints | 6 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.44, −0.41 |