Information card for entry 2228691

Structure parameters

• Chemical name: 2,6-Diethylanilinium dihydrogen phosphate‒phosphoric acid (1/1)
• Formula: C10 H21 N O8 P2
• Calculated formula: C10 H21 N O8 P2
• SMILES: P(=O)(O)(O)O.P(=O)(O)(O)[O-].[NH3+]c1c(cccc1CC)CC
• Title of publication: 2,6-Diethylanilinium dihydrogen phosphate‒phosphoric acid (1/1)
• Authors of publication: Khemiri, Hamed; Akriche, Samah Toumi; Al-Deyab, Salem S.; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o101
• a: 8.1634 ± 0.001 Å
• b: 7.707 ± 0.002 Å
• c: 25.68 ± 0.006 Å
• α: 90°
• β: 102.686 ± 0.019°
• γ: 90°
• Cell volume: 1576.2 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes