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Information card for entry 2006423
Preview
| Coordinates | 2006423.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C6 H14 N8 O4 |
|---|---|
| Calculated formula | C6 H14 N8 O4 |
| SMILES | [O-]C1=C([O-])C(=O)C1=O.NNC(=[NH2+])N.NNC(=[NH2+])N |
| Title of publication | Aminoguanidinium Squarate |
| Authors of publication | Kolev, Tsonko; .; Glavcheva, Zornitza; .; Stahl, Rainer; .; Preut, Hans; .; Bleckmann, Paul; .; Radomirska, Valentina; . |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | IUC9700010 |
| a | 4.093 ± 0.001 Å |
| b | 11.438 ± 0.002 Å |
| c | 12.365 ± 0.002 Å |
| α | 90° |
| β | 90.73 ± 0.03° |
| γ | 90° |
| Cell volume | 578.8 ± 0.2 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0559 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections | 0.0924 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Goodness-of-fit parameter for all reflections | 1.033 |
| Goodness-of-fit parameter for significantly intense reflections | 1.097 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.