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Information card for entry 2242021
Preview
| Coordinates | 2242021.cif |
|---|---|
| Structure factors | 2242021.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Rubidium methyldiazotate |
|---|---|
| Chemical name | Rubidium methyldiazotate |
| Formula | C H3 N2 O Rb |
| Calculated formula | C H3 N2 O Rb |
| SMILES | [Rb+].[O-]/N=N\C |
| Title of publication | Crystal structure of rubidium methyldiazotate |
| Authors of publication | Grassl, Tobias; Korber, Nikolaus |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 159 - 161 |
| a | 6.8658 ± 0.0001 Å |
| b | 8.7614 ± 0.0001 Å |
| c | 7.2447 ± 0.0001 Å |
| α | 90° |
| β | 114.219 ± 0.002° |
| γ | 90° |
| Cell volume | 397.441 ± 0.011 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0412 |
| Weighted residual factors for all reflections included in the refinement | 0.0416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242021.cif 2242021.hkl |
| 190486 | 2017-01-14 | cif/ hkl/ Adding structures of 2242021 via cif-deposit CGI script. |
2242021.cif 2242021.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.