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Information card for entry 7058017
Preview
| Coordinates | 7058017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-Nitro-4,4'-bipyrazole |
|---|---|
| Formula | C6 H5 N5 O2 |
| Calculated formula | C6 H5 N5 O2 |
| Title of publication | Facile and selective polynitrations at the 4-pyrazolyl dual backbone: A straightforward access to a series of high-density energetic materials |
| Authors of publication | Domasevitch, Konstantin V.; Gospodinov, Ivan; Krautscheid, Harald; Klapoetke, Thomas M.; Stierstorfer, Joerg |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| a | 5.4831 ± 0.0002 Å |
| b | 5.4831 ± 0.0002 Å |
| c | 47.463 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1426.95 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212424 (current) | 2018-12-07 | cif/ Adding structures of 7058017, 7058018, 7058019, 7058020, 7058021, 7058022 via cif-deposit CGI script. |
7058017.cif |
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