Table 3. Experimental details.
| Crystal data | |
| Chemical formula | [Li(C5H3N2O2)(H2O)]0.5H2O |
| M r | 157.06 |
| Crystal system, space group | Monoclinic, P21 |
| Temperature (K) | 293 |
| a, b, c () | 10.4965(5), 12.8118(6), 10.8810(4) |
| () | 107.771(5) |
| V (3) | 1393.45(11) |
| Z | 8 |
| Radiation type | Cu K |
| (mm1) | 1.07 |
| Crystal size (mm) | 0.17 0.08 0.05 |
| Data collection | |
| Diffractometer | Agilent CCD Xcalibur Ruby |
| Absorption correction | Analytical [CrysAlis PRO (Agilent, 2014 ▸), based on expressions derived by Clark Reid (1995 ▸)] |
| T min, T max | 0.894, 0.952 |
| No. of measured, independent and observed [I > 2(I)] reflections | 10782, 5237, 3736 |
| R int | 0.056 |
| (sin /)max (1) | 0.614 |
| Refinement | |
| R[F 2 > 2(F 2)], wR(F 2), S | 0.061, 0.177, 0.98 |
| No. of reflections | 5237 |
| No. of parameters | 451 |
| No. of restraints | 20 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| max, min (e 3) | 0.35, 0.23 |