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Information card for entry 7239554
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| Coordinates | 7239554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 5,5'-(hydrazonomethylene)bis(1H-tetrazole) hydrate |
|---|---|
| Formula | C3 H6 N10 O |
| Calculated formula | C3 H6 N10 O |
| Title of publication | Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials |
| Authors of publication | Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2013 |
| Journal volume | 1 |
| Journal issue | 48 |
| Pages of publication | 15383 |
| a | 4.7217 ± 0.0004 Å |
| b | 16.4748 ± 0.0014 Å |
| c | 10.3658 ± 0.0009 Å |
| α | 90° |
| β | 101.975 ± 0.002° |
| γ | 90° |
| Cell volume | 788.8 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239554.cif |
| 244767 | 2019-11-28 | cif/ Adding structures of 7239553, 7239554, 7239555 via cif-deposit CGI script. |
7239554.cif |
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Users of the data should acknowledge the original authors of the
structural data.