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Information card for entry 7206027
Preview
| Coordinates | 7206027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180391 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/60. |
7206027.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206027.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206027.cif |
| 21317 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7206026, 7206027 via cif-deposit CGI script. |
7206027.cif |
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Users of the data should acknowledge the original authors of the
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