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Information card for entry 2008850
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| Coordinates | 2008850.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | bis(N,N'-diphenylguanidinium) oxalate |
|---|---|
| Formula | C28 H28 N6 O4 |
| Calculated formula | C28 H28 N6 O4 |
| SMILES | C(=[NH2+])(Nc1ccccc1)Nc1ccccc1.[O-]C(=O)C(=O)[O-].C(=[NH2+])(Nc1ccccc1)Nc1ccccc1 |
| Title of publication | Bis(<i>N</i>,<i>N</i>'-diphenylguanidinium) oxalate |
| Authors of publication | Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 8 |
| Pages of publication | 1290 - 1292 |
| a | 19.784 ± 0.009 Å |
| b | 11.101 ± 0.009 Å |
| c | 12.384 ± 0.004 Å |
| α | 90° |
| β | 106.59 ± 0.02° |
| γ | 90° |
| Cell volume | 2607 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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