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Information card for entry 2000033
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| Coordinates | 2000033.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(2-aminopyridinium) fumarate–fumaric acid (1/1) |
|---|---|
| Formula | C18 H20 N4 O8 |
| Calculated formula | C18 H20 N4 O8 |
| Title of publication | Accurate unrestrained DDM refinement of crystal structures from highly distorted and low-resolution powder diffraction data |
| Authors of publication | Solovyov, Leonid A. |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 738 - 743 |
| a | 3.81737 ± 0.00006 Å |
| b | 9.60821 ± 0.00016 Å |
| c | 13.36297 ± 0.00024 Å |
| α | 94.2993 ± 0.0006° |
| β | 91.7434 ± 0.0006° |
| γ | 91.7142 ± 0.0007° |
| Cell volume | 488.268 ± 0.014 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.03942 |
| Residual factor R(I) for significantly intense reflections | 0.02784 |
| Goodness-of-fit parameter for all reflections | 1.73354 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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