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Information card for entry 2003653
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| Coordinates | 2003653.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ortho-phénylènediammonium Dihydrogénodiphosphate |
|---|---|
| Formula | C6 H12 N2 O7 P2 |
| Calculated formula | C6 H12 N2 O7 P2 |
| SMILES | P(=O)([O-])(O)OP(=O)([O-])O.[NH3+]c1c([NH3+])cccc1 |
| Title of publication | <i>o</i>-Phénylènediammonium Dihydrogénodiphosphate |
| Authors of publication | Soumhi, E. H.; Jouini, T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1457 - 1459 |
| a | 7.2169 ± 0.0005 Å |
| b | 7.2821 ± 0.0006 Å |
| c | 11.5524 ± 0.0002 Å |
| α | 82.154 ± 0.01° |
| β | 87.096 ± 0.01° |
| γ | 64.494 ± 0.01° |
| Cell volume | 542.8 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for all reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Goodness-of-fit parameter for all reflections | 2.817 |
| Goodness-of-fit parameter for significantly intense reflections | 2.925 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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