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Information card for entry 7055026
Preview
| Coordinates | 7055026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H12 Br2 Se |
|---|---|
| Calculated formula | C8 H12 Br2 Se |
| SMILES | [C@@H]12[C@@H](CC[C@@H]([Se]1)[C@@H](CC2)Br)Br.[C@H]12[C@H](CC[C@H]([Se]1)[C@H](CC2)Br)Br |
| Title of publication | 2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation |
| Authors of publication | Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G. |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 8055 |
| a | 12.7243 ± 0.001 Å |
| b | 10.1559 ± 0.0008 Å |
| c | 7.678 ± 0.0006 Å |
| α | 90° |
| β | 95.932 ± 0.0017° |
| γ | 90° |
| Cell volume | 986.89 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0317 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055026.cif |
| 162103 | 2015-10-09 | cif/ Updating files of 7055026, 7055027, 7055028 Original log message: Adding full bibliography for 7055026--7055028.cif. |
7055026.cif |
| 152577 | 2015-07-28 | cif/ Adding structures of 7055026, 7055027, 7055028 via cif-deposit CGI script. |
7055026.cif |
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Users of the data should acknowledge the original authors of the
structural data.