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Information card for entry 8105003
Preview
| Coordinates | 8105003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3.5 H3 Br0.5 N2.5 |
|---|---|
| Calculated formula | C3.5 H3 Br0.5 N2.5 |
| Title of publication | The crystal structure of 5-bromo-2-(1-methyl-1H-tetrazol-5-yl)pyridine, C7H6BrN5 |
| Authors of publication | Tang, Hang-Jun; Xu, Yang-Rong; Wang, Xiao-Hui; Zhao, Feng-Lan; Meng, Qing-Guo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 23 - 25 |
| a | 12.3735 ± 0.0008 Å |
| b | 20.869 ± 0.0011 Å |
| c | 6.8385 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1765.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | A e a m |
| Hall space group symbol | -A 2 2ab |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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 |
|---|---|---|---|
| 274304 (current) | 2022-04-04 | cif/ Adding structures of 8105003 via cif-deposit CGI script. |
8105003.cif |
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Users of the data should acknowledge the original authors of the
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