Table 3. Experimental details.
| Crystal data | |
| Chemical formula | (C6H16N2)[CrO4] |
| M r | 232.21 |
| Crystal system, space group | Orthorhombic, P b c a |
| Temperature (K) | 173 |
| a, b, c (Å) | 9.910 (2), 8.3730 (17), 22.999 (5) |
| V (Å3) | 1908.4 (7) |
| Z | 8 |
| Radiation type | Synchrotron, λ = 0.650 Å |
| μ (mm−1) | 0.92 |
| Crystal size (mm) | 0.10 × 0.09 × 0.01 |
| Data collection | |
| Diffractometer | ADSC Q210 CCD area detector |
| Absorption correction | Empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski & Minor, 1997 ▸) |
| T min, T max | 0.794, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections | 16426, 2383, 1749 |
| R int | 0.069 |
| (sin θ/λ)max (Å−1) | 0.674 |
| Refinement | |
| R[F 2 > 2σ(F 2)], wR(F 2), S | 0.055, 0.160, 0.99 |
| No. of reflections | 2383 |
| No. of parameters | 121 |
| H-atom treatment | H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) | 0.95, −1.53 |