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CIF Information Card
Information card for 1100688
1100687 << 1100688 >> 1100689Preview
|
Coordinates |
1100688.cif |
Structure parameters
| Formula | - C7.5 H8 N2 S0.5 - |
| Calculated formula | - C7.5 H8 N2 S0.5 - |
| a | 18.381 ± 0.004 Å |
| b | 6.1799 ± 0.0012 Å |
| c | 6.1865 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 702.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | Pmn2(1) |
| Residual factor for all reflections | 0.1207 |
| Residual factor for observed reflections | 0.1089 |
| Weighted residual factors for the observed reflections | 0.3064 |
| Weighted residual factors for all reflections included in the refinement | 0.3127 |
| Goodness-of-fit parameter for observed reflections | 1.219 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |