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Information card for entry 7249607
Preview
| Coordinates | 7249607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H10 N2 O6 P2 |
|---|---|
| Calculated formula | C5 H10 N2 O6 P2 |
| Title of publication | Structural landscape studies of aminopyridinium hypodiphosphates: dehydration and polymorphism in 4-aminopyridinium salts |
| Authors of publication | Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 48 |
| Pages of publication | 6861 - 6872 |
| a | 6.41 ± 0.002 Å |
| b | 15.099 ± 0.004 Å |
| c | 10.548 ± 0.003 Å |
| α | 90° |
| β | 100.68 ± 0.03° |
| γ | 90° |
| Cell volume | 1003.2 ± 0.5 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.152 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297107 (current) | 2025-01-06 | cif/ Updating files of 7249606, 7249607, 7249608, 7249609, 7249610 Original log message: Adding full bibliography for 7249606--7249610.cif. |
7249607.cif |
| 296026 | 2024-11-21 | cif/ Adding structures of 7249606, 7249607, 7249608, 7249609, 7249610 via cif-deposit CGI script. |
7249607.cif |
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Users of the data should acknowledge the original authors of the
structural data.