Information card for entry 7129405

Structure parameters

• Formula: C2 H B F3 K
• Calculated formula: C2 H B F3 K
• Title of publication: Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains
• Authors of publication: Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.9337 ± 0.0001 Å
• b: 7.0937 ± 0.0002 Å
• c: 18.3067 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 900.43 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No