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Information card for entry 7133545
Preview
| Coordinates | 7133545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,2-bis(4-Pyridyl)ethane fumaric acid |
|---|---|
| Formula | C16 H16 N2 O4 |
| Calculated formula | C16 H16 N2 O4 |
| Title of publication | Metal-free negative linear compressibility (NLC) material - the cocrystal of 1,2-bis(4-pyridyl)ethane and fumaric acid. |
| Authors of publication | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 75 |
| Pages of publication | 10310 - 10313 |
| a | 16.6937 ± 0.0002 Å |
| b | 4.8165 ± 0.0001 Å |
| c | 19.6871 ± 0.0003 Å |
| α | 90° |
| β | 109.083 ± 0.002° |
| γ | 90° |
| Cell volume | 1495.96 ± 0.05 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0214 |
| Residual factor for significantly intense reflections | 0.0192 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0766 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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