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Information card for entry 2300012
Preview
| Coordinates | 2300012.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | biguanidinium mono-dinitramide |
|---|---|
| Formula | C2 H8 N8 O4 |
| Calculated formula | C2 H8 N8 O4 |
| SMILES | O=N([N-]N(=O)=O)=O.NC(N=C(N)N)=[NH2+] |
| Title of publication | Energetic materials: variable-temperature crystal structures of two biguanidinium dinitramides |
| Authors of publication | Bolotina, Nadezhda B.; Hardie, Michaele J.; Pinkerton, A. Alan |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2003 |
| Journal volume | 36 |
| Journal issue | 6 |
| Pages of publication | 1334 - 1341 |
| a | 4.3535 ± 0.0001 Å |
| b | 9.3742 ± 0.0004 Å |
| c | 10.6783 ± 0.0004 Å |
| α | 84.072 ± 0.001° |
| β | 80.834 ± 0.002° |
| γ | 80.273 ± 0.002° |
| Cell volume | 422.73 ± 0.03 Å3 |
| Cell temperature | 250 ± 1 K |
| Ambient diffraction temperature | 250 ± 1 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 | 0.1202 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections | 0.1538 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Goodness-of-fit parameter for all reflections | 1.033 |
| Goodness-of-fit parameter for significantly intense reflections | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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