Table 2. Experimental details.
| Crystal data | |
| Chemical formula | C4H12N+·C4H5O6 −·H2O |
| M r | 241.24 |
| Crystal system, space group | Orthorhombic, P21212 |
| Temperature (K) | 125 |
| a, b, c (Å) | 11.0921 (10), 14.8876 (14), 7.2070 (7) |
| V (Å3) | 1190.13 (19) |
| Z | 4 |
| Radiation type | Mo Kα |
| μ (mm−1) | 0.12 |
| Crystal size (mm) | 0.21 × 0.09 × 0.04 |
| Data collection | |
| Diffractometer | Bruker APEXII CCD |
| Absorption correction | Multi-scan (SADABS; Bruker, 2008 ▸) |
| T min, T max | 0.567, 0.746 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 9652, 2925, 2613 |
| R int | 0.067 |
| (sin θ/λ)max (Å−1) | 0.680 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.040, 0.104, 1.03 |
| No. of reflections | 2925 |
| No. of parameters | 236 |
| No. of restraints | 20 |
| H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) | 0.30, −0.27 |