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CIF Information Card
Information card for 7206000
7205999 << 7206000 >> 7206001Preview
|
Coordinates |
7206000.cif |
Structure parameters
| Common name | Anilinium(1+) selenate dihydrate |
| Formula | - C12 H20 N2 O6 Se - |
| Calculated formula | - C12 H20 N2 O6 Se - |
| 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 | 9.412 ± 0.0009 Å |
| b | 9.0979 ± 0.0007 Å |
| c | 17.819 ± 0.002 Å |
| α | 90° |
| β | 98.053 ± 0.01° |
| γ | 90° |
| Cell volume | 1510.8 ± 0.3 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.1328 |
| Residual factor for observed reflections | 0.0473 |
| Weighted residual factors for the observed reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for observed reflections | 0.92 |
| Goodness-of-fit parameter for significantly intense reflections | 1.27 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |