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Information card for entry 7226438
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| Coordinates | 7226438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-dinitroxymethyl-3,6-dinitropyrazolo[4,3-c]pyrazole |
|---|---|
| Formula | C6 H4 N8 O10 |
| Calculated formula | C6 H4 N8 O10 |
| Title of publication | Synthesis, structure and properties of neutral energetic materials based on N-functionalization of 3,6-dinitropyrazolo[4,3-c]pyrazole |
| Authors of publication | Li, Yanan; Shu, Yuan-jie; Wang, Bozhou; Zhang, Shengyong; Zhai, Lian-jie |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.743 ± 0.004 Å |
| b | 8.302 ± 0.005 Å |
| c | 10.605 ± 0.006 Å |
| α | 85.5 ± 0.011° |
| β | 78.807 ± 0.01° |
| γ | 71.153 ± 0.009° |
| Cell volume | 632.8 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1559 |
| Residual factor for significantly intense reflections | 0.0872 |
| Weighted residual factors for significantly intense reflections | 0.2173 |
| Weighted residual factors for all reflections included in the refinement | 0.2603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186120 (current) | 2016-09-01 | cif/ Adding structures of 7226438, 7226439, 7226440 via cif-deposit CGI script. |
7226438.cif |
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Users of the data should acknowledge the original authors of the
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