Information card for entry 2109029

Structure parameters

• Formula: C2 H8 N O5 P
• Calculated formula: C2.66667 H10.6667 N1.33333 O6.66667 P1.33333
• 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: 9.7272 ± 0.0009 Å
• b: 8.4963 ± 0.0005 Å
• c: 7.332 ± 0.007 Å
• α: 90°
• β: 100.45 ± 0.03°
• γ: 90°
• Cell volume: 595.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Cell measurement pressure: 360000 kPa
• Ambient diffracton pressure: 360000 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: 0.0847
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes