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Information card for entry 2205155
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| Coordinates | 2205155.cif |
|---|---|
| Structure factors | 2205155.hkl |
| Original IUCr paper | HTML |
| Chemical name | Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate |
|---|---|
| Formula | C8 H10 N4 O5 |
| Calculated formula | C8 H10 N4 O5 |
| SMILES | Oc1cc([nH+]c(c1)C(=O)[O-])C(=O)[O-].[NH2+]=C(N)N |
| Title of publication | Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate |
| Authors of publication | Moghimi, Abolghasem; Aghabozorg, Hossein; Soleimannejad, Janet; Ramezanipour, Farshid |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 2 |
| Pages of publication | o442 - o444 |
| a | 6.824 ± 0.003 Å |
| b | 11.887 ± 0.006 Å |
| c | 25.224 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2046.1 ± 1.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0814 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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