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Information card for entry 7133545
Preview
Coordinates | 7133545.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,2-bis(4-Pyridyl)ethane fumaric acid |
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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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The link is: https://www.crystallography.net/7133545.html
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