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Information card for entry 7233844
Preview
| Coordinates | 7233844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C5 H6 N10 O4 |
|---|---|
| Calculated formula | C5 H6 N10 O4 |
| Title of publication | Energetic transition metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazole: syntheses, structures and properties |
| Authors of publication | Wang, Yanna; Yang, Xiaoming; Zhang, Weijing; Li, Haibo; Li, Zhimin; Wang, Lin; Zhang, Tonglai |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 42 |
| Pages of publication | 6452 |
| a | 8.3805 ± 0.0017 Å |
| b | 4.9153 ± 0.001 Å |
| c | 23.694 ± 0.005 Å |
| α | 90° |
| β | 98.21 ± 0.03° |
| γ | 90° |
| Cell volume | 966 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1729 |
| Residual factor for significantly intense reflections | 0.1342 |
| Weighted residual factors for significantly intense reflections | 0.2124 |
| Weighted residual factors for all reflections included in the refinement | 0.2317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.237 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7233844.cif |
| 223555 | 2019-11-07 | cif/ Updating files of 7233844, 7233845, 7233846, 7233847, 7233848, 7233849 Original log message: Adding full bibliography for 7233844--7233849.cif. |
7233844.cif |
| 218294 | 2019-09-15 | cif/ Adding structures of 7233844, 7233845, 7233846, 7233847, 7233848, 7233849 via cif-deposit CGI script. |
7233844.cif |
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Users of the data should acknowledge the original authors of the
structural data.