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Information card for entry 2012768
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| Coordinates | 2012768.cif |
|---|---|
| Structure factors | 2012768.hkl |
| Original IUCr paper | HTML |
| Common name | melaminium glutarate monohydrate |
|---|---|
| Chemical name | 2,4,6-triamino-1,3,5-triazine-1-ium glutarate monohydrate |
| Formula | C8 H16 N6 O5 |
| Calculated formula | C8 H16 N6 O5 |
| SMILES | n1c(nc([nH+]c1N)N)N.O=C([O-])CCCC(=O)O.O |
| Title of publication | Melaminium glutarate monohydrate |
| Authors of publication | Janczak, Jan; Perpétuo, Genivaldo Julio |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 6 |
| Pages of publication | o339 - o341 |
| a | 4.539 ± 0.001 Å |
| b | 28.544 ± 0.006 Å |
| c | 9.863 ± 0.002 Å |
| α | 90° |
| β | 97.57 ± 0.03° |
| γ | 90° |
| Cell volume | 1266.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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