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Information card for entry 1572951
Preview
| Coordinates | 1572951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | <i>trans</i>-2,5-Dimethylpiperazine-1,4-diium dihydrogen diphosphate |
|---|---|
| Formula | C6 H18 N2 O7 P2 |
| Calculated formula | C6 H18 N2 O7 P2 |
| Authors of publication | Mrad, Houda; Elboulali, Adel; Baptiste, Benoît; Akriche, Samah |
| Year of publication | 2024 |
| a | 10.2557 ± 0.0005 Å |
| b | 8.3978 ± 0.0005 Å |
| c | 13.7681 ± 0.0007 Å |
| α | 90° |
| β | 91.422 ± 0.004° |
| γ | 90° |
| Cell volume | 1185.42 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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 |
|---|---|---|---|
| 295623 (current) | 2024-10-25 | cif/ Adding structures of 1572951 via cif-deposit CGI script. |
1572951.cif |
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