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Information card for entry 2022779
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| Coordinates | 2022779.cif |
|---|---|
| Structure factors | 2022779.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(diaqualithium)]-μ~4~-3,3',5,5'-tetranitro-4,4'-bipyrazole-1,1'-diido] |
|---|---|
| Formula | C6 H8 Li2 N8 O12 |
| Calculated formula | C6 H8 Li2 N8 O12 |
| Title of publication | catena-Poly[[bis(diaqualithium)]-μ4-3,3′,5,5′-tetranitro-4,4′-bipyrazole-1,1′-diido]: a new moisture-insensitive alkali-metal energetic salt with a well-defined network structure |
| Authors of publication | Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| a | 11.5094 ± 0.0009 Å |
| b | 13.9839 ± 0.0008 Å |
| c | 9.4247 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1516.87 ± 0.17 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0468 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0697 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284687 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022779 via cif-deposit CGI script. |
2022779.cif 2022779.hkl |
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Users of the data should acknowledge the original authors of the
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