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Information card for entry 2200402
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| Coordinates | 2200402.cif |
|---|---|
| Structure factors | 2200402.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexamethylenediammonium hydrogenphosphite |
|---|---|
| Formula | C6 H22 N2 O6 P2 |
| Calculated formula | C6 H22 N2 O6 P2 |
| SMILES | C(CCCCC[NH3+])[NH3+].[O-]P(=O)O.[O-]P(=O)O |
| Title of publication | Pillared layered hydrogen-bonded network in hexamethylenediammonium hydrogenphosphite |
| Authors of publication | Mahmoudkhani, Amir H.; Langer, Vratislav |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 9 |
| Pages of publication | o866 - o868 |
| a | 4.933 ± 0.0003 Å |
| b | 8.9074 ± 0.0005 Å |
| c | 14.8407 ± 0.0008 Å |
| α | 90° |
| β | 94.751 ± 0.001° |
| γ | 90° |
| Cell volume | 649.86 ± 0.06 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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