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Information card for entry 1571145
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Coordinates | 1571145.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 4,4'-bipyridine malonate |
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Formula | C13 H12 N2 O4 |
Calculated formula | C13 H12 N2 O4 |
Title of publication | The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal. |
Authors of publication | Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel |
Journal of publication | IUCrJ |
Year of publication | 2024 |
Journal volume | 11 |
Journal issue | 2 |
Pages of publication | 168 - 181 |
a | 8.4 ± 0.01 Å |
b | 7.886 ± 0.003 Å |
c | 15.389 ± 0.019 Å |
α | 90° |
β | 103.93 ± 0.14° |
γ | 90° |
Cell volume | 989.4 ± 1.8 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2481 |
Residual factor for significantly intense reflections | 0.095 |
Weighted residual factors for significantly intense reflections | 0.1442 |
Weighted residual factors for all reflections included in the refinement | 0.2162 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571145.html
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Users of the data should acknowledge the original authors of the
structural data.