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Information card for entry 7710726
Preview
| Coordinates | 7710726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2,5-diaminotetrazole |
|---|---|
| Chemical name | 2,5-diaminotetrazole |
| Formula | C H4 N6 |
| Calculated formula | C H4 N6 |
| SMILES | n1n(nnc1N)N |
| Title of publication | Chemistry of 2,5-diaminotetrazole. |
| Authors of publication | Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2022 |
| a | 5.2519 ± 0.001 Å |
| b | 6.5141 ± 0.0009 Å |
| c | 6.8045 ± 0.001 Å |
| α | 105.732 ± 0.012° |
| β | 107.197 ± 0.015° |
| γ | 99.007 ± 0.014° |
| Cell volume | 206.84 ± 0.07 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276835 (current) | 2022-07-23 | cif/ Adding structures of 7710723, 7710724, 7710725, 7710726, 7710727, 7710728, 7710729, 7710730, 7710731, 7710732 via cif-deposit CGI script. |
7710726.cif |
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Users of the data should acknowledge the original authors of the
structural data.