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Information card for entry 2022868
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| Coordinates | 2022868.cif |
|---|---|
| Structure factors | 2022868.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(3-carboxy-1-methylpyridinium) octabromide |
|---|---|
| Formula | C14 H16 Br8 N2 O4 |
| Calculated formula | C14 H16 Br8 N2 O4 |
| Title of publication | Crystal structure of bis-(3-carb-oxy-1-methyl-pyrid-inium) octa-bromide. |
| Authors of publication | Sirenko, Valerii Y.; Naumova, Dina D.; Golenya, Irina A.; Shova, Sergiu; Gural'skiy, Il'ya A. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 977 - 981 |
| a | 6.8537 ± 0.0005 Å |
| b | 7.0873 ± 0.0006 Å |
| c | 14.5145 ± 0.0006 Å |
| α | 95.746 ± 0.005° |
| β | 91.156 ± 0.004° |
| γ | 115.002 ± 0.007° |
| Cell volume | 634.23 ± 0.08 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0975 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0231 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288138 (current) | 2023-12-07 | cif/ Updating files of 2022868 Original log message: Adding full bibliography for 2022868.cif. |
2022868.cif 2022868.hkl |
| 286650 | 2023-10-04 | cif/ hkl/ Adding structures of 2022868 via cif-deposit CGI script. |
2022868.cif 2022868.hkl |
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Users of the data should acknowledge the original authors of the
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