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Information card for entry 7236631
Preview
| Coordinates | 7236631.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C2 H10 N12 O5 |
|---|---|
| Calculated formula | C2 H10 N12 O5 |
| Title of publication | Synthesis of 1-(2H-tetrazol-5-yl)-5-nitraminotetrazole and its derivatives from 5-aminotetrazole and cyanogen azide: a promising strategy towards the development of C–N linked bistetrazolate energetic materials |
| Authors of publication | Wang, Binshen; Qi, Xiujuan; Zhang, Wenquan; Wang, Kangcai; Li, Wei; Zhang, Qinghua |
| Journal of publication | J. Mater. Chem. A |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 39 |
| Pages of publication | 20867 |
| a | 7.7628 ± 0.0008 Å |
| b | 8.472 ± 0.0009 Å |
| c | 8.6864 ± 0.0009 Å |
| α | 96.566 ± 0.002° |
| β | 99.093 ± 0.002° |
| γ | 107.015 ± 0.002° |
| Cell volume | 531.54 ± 0.1 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.1031 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| 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. |
7236631.cif |
| 236370 | 2019-11-24 | cif/ Adding structures of 7236629, 7236630, 7236631, 7236632, 7236633, 7236634 via cif-deposit CGI script. |
7236631.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.