Information card for entry 2005586

Structure parameters

• Chemical name: potassium hydrogen bis(phosphoenolpyruvate)
• Formula: C6 H9 K O12 P2
• Calculated formula: C6 H9 K O12 P2
• Title of publication: Acid Salts of Phosphoenolpyruvic Acid (H~3~PEP): NaH~5~(PEP)~2~.2H~2~O and KH~5~(PEP)~2~
• Authors of publication: Lis, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2720 - 2724
• a: 11.927 ± 0.007 Å
• b: 6.803 ± 0.004 Å
• c: 17.215 ± 0.011 Å
• α: 90°
• β: 101.91 ± 0.05°
• γ: 90°
• Cell volume: 1366.7 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.0954
• Goodness-of-fit parameter for all reflections: 1.011
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No