Information card for entry 7220977

Structure parameters

• Common name: [P4444][H(OAc)2]
• Chemical name: tetrabutylphosphonium hydrogendiethanoate
• Formula: C20 H43 O4 P
• Calculated formula: C20 H43 O4 P
• SMILES: C(CCC)[P+](CCCC)(CCCC)CCCC.C(=O)(C)[O-].C(=O)(C)O
• Title of publication: Carbon dioxide uptake from natural gas by binary ionic liquid‒water mixtures
• Authors of publication: Anderson, Kris; Atkins, Martin P.; Estager, Julien; Kuah, Yongcheun; Ng, Shieling; Oliferenko, Alexander A.; Plechkova, Natalia V.; Puga, Alberto V.; Seddon, Kenneth R.; Wassell, David F.
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 4340
• a: 9.6788 ± 0.0003 Å
• b: 9.6941 ± 0.0003 Å
• c: 12.4864 ± 0.0004 Å
• α: 86.025 ± 0.002°
• β: 86.707 ± 0.002°
• γ: 89.675 ± 0.002°
• Cell volume: 1166.81 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No