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Information card for entry 7241576
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| Coordinates | 7241576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4,4-bipyridine oxalic acid |
|---|---|
| Formula | C12 H10 N2 O4 |
| Calculated formula | C12 H10 N2 O4 |
| SMILES | OC(=O)C(=O)O.n1ccc(cc1)c1ccncc1 |
| Title of publication | Crystallisation of organic salts by sublimation: salt formation from the gas phase |
| Authors of publication | Lombard, Jean; Smith, Vincent J.; le Roex, Tanya; Haynes, Delia A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 45 |
| Pages of publication | 7826 - 7831 |
| a | 8.74 ± 0.001 Å |
| b | 9.849 ± 0.001 Å |
| c | 13.663 ± 0.002 Å |
| α | 73.285 ± 0.002° |
| β | 72.292 ± 0.002° |
| γ | 72.343 ± 0.002° |
| Cell volume | 1042.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0663 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1713 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292638 (current) | 2024-06-28 | cif/7: Fixing Z values and formulae |
7241576.cif |
| 259315 | 2020-11-29 | cif/ Adding structures of 7241569, 7241570, 7241571, 7241572, 7241573, 7241574, 7241575, 7241576, 7241577, 7241578 via cif-deposit CGI script. |
7241576.cif |
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Users of the data should acknowledge the original authors of the
structural data.