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CIF Information Card
Information card for 7206027
7206026 << 7206027 >> 7206028Preview
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Coordinates |
7206027.cif |
Structure parameters
| Common name | 1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate |
| Chemical name | 1,4,7,10-tetrabenzyl-1,4,7,-triazonia-10-azacyclododecane fluoride hexafluorosilicate tetrahydrate |
| Formula | - C36 H55 F7 N4 O4 Si - |
| Calculated formula | - C36 H52.276 F7 N4 O4 Si - |
| Title of publication | Tetrabenzylcyclen as a receptor for fluoride |
| Authors of publication | Gelmboldt, Vladimir O.; Ganin, Eduard V.; Basok, Stepan S.; Kulygina, Ekaterina Yu.; Botoshansky, Mark M.; Kravtsov, Victor Ch.; Fonari, Marina S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3682 |
| a | 37.0414 ± 0.0014 Å |
| b | 11.1521 ± 0.0004 Å |
| c | 19.2636 ± 0.0007 Å |
| α | 90° |
| β | 100.044 ± 0.004° |
| γ | 90° |
| Cell volume | 7835.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.095 |
| Residual factor for observed reflections | 0.0399 |
| Weighted residual factors for the observed reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for observed reflections | 0.841 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |