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Information card for entry 8107167
Preview
| Coordinates | 8107167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H6 N8 O8 |
|---|---|
| Calculated formula | C8 H6 N8 O8 |
| Title of publication | Crystal structure of 1,2-bis(4,5-dinitro-1H-imidazol-1-yl)ethane, C8H6N8O8 |
| Authors of publication | Yong, Wang; Bingheng, Wu; Jun, Yuan; Duanlin, Cao; Jianlong, Wang; Lizhen, Chen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 611 - 612 |
| a | 6.7563 ± 0.0009 Å |
| b | 7.2512 ± 0.0012 Å |
| c | 25.884 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1268.1 ± 0.3 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0473 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283650 (current) | 2023-05-10 | cif/ Adding structures of 8107167 via cif-deposit CGI script. |
8107167.cif |
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Users of the data should acknowledge the original authors of the
structural data.