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Information card for entry 7058314
Preview
| Coordinates | 7058314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 N12 O10 |
|---|---|
| Calculated formula | C8 N12 O10 |
| Title of publication | C8N12O10: a promising energetic compound with excellent detonation performance and desirable sensitivity |
| Authors of publication | Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 20 |
| Pages of publication | 7784 |
| a | 11.2116 ± 0.0012 Å |
| b | 5.9944 ± 0.0008 Å |
| c | 10.8652 ± 0.0011 Å |
| α | 90° |
| β | 95.429 ± 0.004° |
| γ | 90° |
| Cell volume | 726.94 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0764 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058314.cif |
| 224859 | 2019-11-08 | cif/ Updating files of 7058313, 7058314 Original log message: Adding full bibliography for 7058313--7058314.cif. |
7058314.cif |
| 214711 | 2019-04-20 | cif/ Adding structures of 7058313, 7058314 via cif-deposit CGI script. |
7058314.cif |
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Users of the data should acknowledge the original authors of the
structural data.