Information card for entry 7220978

Structure parameters

• Common name: [P4444][HCO3]
• Chemical name: tetrabutylphosphonium hydrogencarbonate
• Formula: C34 H74 O6 P2
• Calculated formula: C34 H74 O6 P2
• 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: 10.569 ± 0.005 Å
• b: 11.627 ± 0.005 Å
• c: 31.826 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.812 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3911 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.135
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No