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Information card for entry 2109027
Preview
Coordinates | 2109027.cif |
---|---|
Structure factors | 2109027.hkl |
Original IUCr paper | HTML |
Formula | C2 H8 N O5 P |
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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 | 9.7872 ± 0.001 Å |
b | 8.4868 ± 0.0005 Å |
c | 7.407 ± 0.007 Å |
α | 90° |
β | 100.43 ± 0.03° |
γ | 90° |
Cell volume | 605.1 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Cell measurement pressure | 0 kPa |
Ambient diffracton pressure | 0 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 | 0.1044 |
Residual factor for significantly intense reflections | 0.0567 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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. |
2109027.cif 2109027.hkl |
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Users of the data should acknowledge the original authors of the
structural data.