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Information card for entry 7056436
Preview
| Coordinates | 7056436.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-diazo-3,5-dinitropyrazole |
|---|---|
| Formula | C3 H0 N6 O4 |
| Calculated formula | C3 N6 O4 |
| SMILES | n1nc(N(=O)=O)c(=N#N)c1N(=O)=O |
| Title of publication | Synthesis and characterization of three pyrazolate inner diazonium salts: green, powerful and stable primary explosives |
| Authors of publication | Du, Yao; Zhang, Ji-Chuan; peng, Panpan; Su, Hui; Li, Sheng-Hua; Pang, Si-Ping |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 11.382 ± 0.003 Å |
| b | 10.234 ± 0.002 Å |
| c | 12.054 ± 0.003 Å |
| α | 90° |
| β | 109.625 ± 0.003° |
| γ | 90° |
| Cell volume | 1322.5 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198714 (current) | 2017-07-14 | cif/ Adding structures of 7056435, 7056436, 7056437 via cif-deposit CGI script. |
7056436.cif |
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