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Information card for entry 7229203
Preview
| Coordinates | 7229203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H16 Br8 N2 Te |
|---|---|
| Calculated formula | C12 H16 Br8 N2 Te |
| Title of publication | One-dimensional polymeric polybromotellurates (IV): structural and theoretical insights into halogen···halogen contacts |
| Authors of publication | Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Samsonenko, Denis G.; Sokolov, Maksim Nailyevich; Fedin, Vladimir P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 14.9365 ± 0.0009 Å |
| b | 11.352 ± 0.0006 Å |
| c | 15.1862 ± 0.001 Å |
| α | 90° |
| β | 113.086 ± 0.008° |
| γ | 90° |
| Cell volume | 2368.7 ± 0.3 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0257 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections included in the refinement | 0.0461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201010 (current) | 2017-09-19 | cif/ Adding structures of 7229200, 7229201, 7229202, 7229203, 7229204 via cif-deposit CGI script. |
7229203.cif |
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Users of the data should acknowledge the original authors of the
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