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Information card for entry 2243938
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| Coordinates | 2243938.cif |
|---|---|
| Structure factors | 2243938.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ~4~-4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazol-1-ido]caesium] |
|---|---|
| Formula | C6 H Cs N8 O8 |
| Calculated formula | C6 H Cs N8 O8 |
| Title of publication | Isostructural rubidium and caesium 4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazolates: crystal engineering with polynitro energetic species |
| Authors of publication | Domasevitch, Kostiantyn V.; Ponomarova, Vira V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 11 |
| a | 19.944 ± 0.002 Å |
| b | 8.6307 ± 0.0007 Å |
| c | 16.2083 ± 0.0017 Å |
| α | 90° |
| β | 113.766 ± 0.008° |
| γ | 90° |
| Cell volume | 2553.4 ± 0.5 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0327 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.207 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269940 (current) | 2021-10-14 | cif/ hkl/ Adding structures of 2243937, 2243938 via cif-deposit CGI script. |
2243938.cif 2243938.hkl |
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