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Information card for entry 7058018
Preview
| Coordinates | 7058018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3,3'-Dinitro-4,4'-bipyrazole |
|---|---|
| Formula | C6 H4 N6 O4 |
| Calculated formula | C6 H4 N6 O4 |
| 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 | 15.9744 ± 0.0009 Å |
| b | 6.5428 ± 0.0008 Å |
| c | 8.9414 ± 0.0008 Å |
| α | 90° |
| β | 118.739 ± 0.01° |
| γ | 90° |
| Cell volume | 819.41 ± 0.15 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
7058018.cif |
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