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Information card for entry 7053222
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| Coordinates | 7053222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | diaminoguanidinium 1-methoxy-5-nitroiminotetrazolate |
|---|---|
| Chemical name | diaminoguanidinium 1-methoxy-5-nitroiminotetrazolate |
| Formula | C3 H11 N11 O3 |
| Calculated formula | C3 H11 N11 O3 |
| SMILES | c1(nnnn1OC)N=N([O-])=O.NNC(=[NH2+])NN |
| Title of publication | Energetic salts based on 1-methoxy-5-nitroiminotetrazole |
| Authors of publication | Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2013 |
| Journal volume | 37 |
| Journal issue | 4 |
| Pages of publication | 1180 |
| a | 6.5764 ± 0.0012 Å |
| b | 9.2377 ± 0.0017 Å |
| c | 9.8647 ± 0.0018 Å |
| α | 105.849 ± 0.004° |
| β | 100.993 ± 0.004° |
| γ | 103.37 ± 0.004° |
| Cell volume | 539.86 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.156 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7053222.cif |
| 180086 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32. |
7053222.cif |
| 90695 | 2013-11-18 | cif/ Adding structures of 7053219, 7053220, 7053221, 7053222, 7053223, 7053224, 7053225 via cif-deposit CGI script. |
7053222.cif |
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Users of the data should acknowledge the original authors of the
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