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Information card for entry 7245026
Preview
| Coordinates | 7245026.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H36.2 N8 O18.1 P6 |
|---|---|
| Calculated formula | C20 H36.212 N8 O18.106 P6 |
| Title of publication | Crystal engineering and structural diversity of 2-aminopyridinium hypodiphosphates obtained by crystallization and dehydration |
| Authors of publication | Budzikur, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 13.706 ± 0.005 Å |
| b | 10.656 ± 0.004 Å |
| c | 24.802 ± 0.007 Å |
| α | 90° |
| β | 96.61 ± 0.03° |
| γ | 90° |
| Cell volume | 3598 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1628 |
| Residual factor for significantly intense reflections | 0.0802 |
| Weighted residual factors for significantly intense reflections | 0.2169 |
| Weighted residual factors for all reflections included in the refinement | 0.2674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275726 (current) | 2022-06-02 | cif/ Adding structures of 7245020, 7245021, 7245022, 7245023, 7245024, 7245025, 7245026 via cif-deposit CGI script. |
7245026.cif |
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Users of the data should acknowledge the original authors of the
structural data.