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Information card for entry 8105903
Preview
| Coordinates | 8105903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H12 N6 O4 |
|---|---|
| Calculated formula | C5 H12 N6 O4 |
| SMILES | O=C([O-])c1[nH]nc(c1)C(=O)[O-].N[NH3+].N[NH3+] |
| Title of publication | Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4 |
| Authors of publication | Latinović, Nedeljko; Novaković, Sladjana B.; Bogdanović, Goran A.; Kastratović, Vlatko; Giester, Gerald; Jaćimović, Željko K. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 957 - 958 |
| a | 4.3368 ± 0.0006 Å |
| b | 15.483 ± 0.002 Å |
| c | 13.8852 ± 0.0019 Å |
| α | 90° |
| β | 97.714 ± 0.003° |
| γ | 90° |
| Cell volume | 923.9 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278652 (current) | 2022-10-20 | cif/ Adding structures of 8105903 via cif-deposit CGI script. |
8105903.cif |
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Users of the data should acknowledge the original authors of the
structural data.