Information card for entry 2236658

Structure parameters

• Common name: Tetrabutylammonium sesquihydrogen(phenylarsonate)
• Chemical name: Tetrabutylammonium hydrogen phenylarsonate‒phenylarsonic acid (1/1)
• Formula: C28 H49 As2 N O6
• Calculated formula: C28 H49 As2 N O6
• SMILES: [As](O)(=O)([O-])c1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC.[As](O)(O)(=O)c1ccccc1
• Title of publication: Tetrabutylammonium hydrogen phenylarsonate‒phenylarsonic acid (1/1)
• Authors of publication: Reck, Lukas; Schmitt, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1212 - m1213
• a: 9.035 ± 0.002 Å
• b: 10.137 ± 0.003 Å
• c: 18.789 ± 0.005 Å
• α: 94.005 ± 0.005°
• β: 97.749 ± 0.004°
• γ: 114.289 ± 0.004°
• Cell volume: 1539.2 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes