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Information card for entry 2022940
Preview
| Coordinates | 2022940.cif |
|---|---|
| Structure factors | 2022940.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[dibromidocadmium(II)]-bis(μ-3-amino-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^3^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^3^] |
|---|---|
| Formula | C6 H10 Br2 Cd N6 |
| Calculated formula | C6 H10 Br2 Cd N6 |
| Title of publication | Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide |
| Authors of publication | Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 12 |
| Pages of publication | 1151 - 1154 |
| a | 5.0515 ± 0.0002 Å |
| b | 6.7912 ± 0.0003 Å |
| c | 8.7083 ± 0.0006 Å |
| α | 83.585 ± 0.004° |
| β | 79.907 ± 0.004° |
| γ | 86.833 ± 0.003° |
| Cell volume | 292.09 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.272 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288942 (current) | 2024-01-07 | cif/ Updating files of 2022940 Original log message: Adding full bibliography for 2022940.cif. |
2022940.cif 2022940.hkl |
| 287607 | 2023-11-15 | cif/ hkl/ Adding structures of 2022940 via cif-deposit CGI script. |
2022940.cif 2022940.hkl |
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Users of the data should acknowledge the original authors of the
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