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Information card for entry 2022988
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| Coordinates | 2022988.cif |
|---|---|
| Structure factors | 2022988.hkl |
| Original IUCr paper | HTML |
| Chemical name | Morpholinoformamidinium hexafluorophosphate |
|---|---|
| Formula | C5 H11 F6 N2 O P |
| Calculated formula | C5 H11 F6 N2 O P |
| Title of publication | Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder. |
| Authors of publication | Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 1 |
| Pages of publication | 88 - 93 |
| a | 10.4638 ± 0.0003 Å |
| b | 13.4495 ± 0.0004 Å |
| c | 13.734 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1932.83 ± 0.1 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289689 (current) | 2024-02-05 | cif/ Updating files of 2022988, 2022989, 2022990 Original log message: Adding full bibliography for 2022988--2022990.cif. |
2022988.cif 2022988.hkl |
| 288525 | 2023-12-23 | cif/ hkl/ Adding structures of 2022988, 2022989, 2022990 via cif-deposit CGI script. |
2022988.cif 2022988.hkl |
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Users of the data should acknowledge the original authors of the
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