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Information card for entry 2109039
Preview
| Coordinates | 2109039.cif |
|---|---|
| Structure factors | 2109039.hkl |
| Original paper (by DOI) | HTML |
| Formula | C2 H8 N O5 P |
|---|---|
| Calculated formula | C2 H8 N O5 P |
| Title of publication | The effect of hydrostatic compression on the crystal structure of glycinium phosphite |
| Authors of publication | Bogdanov, Nikita E.; Korabel'nikov, Dmitry V.; Fedorov, Igor A.; Zakharov, Boris A.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 5 |
| a | 9.2008 ± 0.0008 Å |
| b | 8.5014 ± 0.0005 Å |
| c | 6.745 ± 0.005 Å |
| α | 90° |
| β | 100.94 ± 0.03° |
| γ | 90° |
| Cell volume | 518 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 4540000 kPa |
| Ambient diffracton pressure | 4540000 kPa |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.117 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277573 (current) | 2022-09-02 | cif/ hkl/ Adding structures of 2109027, 2109028, 2109029, 2109030, 2109031, 2109032, 2109033, 2109034, 2109035, 2109036, 2109037, 2109038, 2109039, 2109040, 2109041, 2109042, 2109043 via cif-deposit CGI script. |
2109039.cif 2109039.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.