Information card for entry 7129408

Structure parameters

• Formula: C5 H3 B K N3
• Calculated formula: C5 H3 B K N3
• 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: 8.5049 ± 0.0002 Å
• b: 12.8513 ± 0.0002 Å
• c: 7.1205 ± 0.0002 Å
• α: 90°
• β: 94.55 ± 0.002°
• γ: 90°
• Cell volume: 775.81 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0356
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No