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CIF Information Card
Information card for 7205999
7205998 << 7205999 >> 7206000Preview
|
Coordinates |
7205999.cif |
Structure parameters
| Common name | anilinium sulphate |
| Formula | - C12 H16 N2 O4 S - |
| Calculated formula | - C12 H16 N2 O4 S - |
| Title of publication | Semi-organic salts of aniline with inorganic acids: prospective materials for the second harmonic generation |
| Authors of publication | Matulková, Irena; Cihelka, Jaroslav; Fejfarová, Karla; Dušek, Michal; Pojarová, Michaela; Vaněk, Přemysl; Kroupa, Jan; Šála, Michal; Krupková, Radmila; Němec, Ivan |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4131 |
| a | 29.2672 ± 0.0013 Å |
| b | 6.2707 ± 0.0002 Å |
| c | 7.4449 ± 0.0002 Å |
| α | 90° |
| β | 95.612 ± 0.004° |
| γ | 90° |
| Cell volume | 1359.78 ± 0.08 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2 1 |
| Hall symmetry space group | C 2y |
| Residual factor for all reflections | 0.0515 |
| Residual factor for observed reflections | 0.0476 |
| Weighted residual factors for the observed reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for observed reflections | 1.68 |
| Goodness-of-fit parameter for significantly intense reflections | 1.72 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |