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Information card for entry 2202201
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| Coordinates | 2202201.cif |
|---|---|
| Structure factors | 2202201.hkl |
| Original IUCr paper | HTML |
| Formula | C6 H23 N12 O7 P |
|---|---|
| Calculated formula | C6 H23 N12 O7 P |
| SMILES | n1c(nc([nH+]c1N)N)N.[nH+]1c(nc(nc1N)N)N.P(=O)([O-])[O-].O.O.O.O |
| Title of publication | Bis(melaminium) hydrogen phosphite tetrahydrate |
| Authors of publication | Gordon, Laura E.; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 2 |
| Pages of publication | o195 - o197 |
| a | 6.7702 ± 0.0003 Å |
| b | 21.4106 ± 0.0011 Å |
| c | 12.3411 ± 0.0006 Å |
| α | 90° |
| β | 98.108 ± 0.01° |
| γ | 90° |
| Cell volume | 1771.01 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0584 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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