Information card for entry 7246175

Structure parameters

• Formula: C27 H23 B F N2 P
• Calculated formula: C27 H23 B F N2 P
• SMILES: [BH](F)(C#N)C#N.[P+](c1ccccc1)(c1ccccc1)(Cc1ccccc1)c1ccccc1
• Title of publication: Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.
• Authors of publication: Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 6
• Pages of publication: 5037 - 5048
• a: 9.8978 ± 0.0001 Å
• b: 21.7519 ± 0.0002 Å
• c: 21.8961 ± 0.0003 Å
• α: 92.669 ± 0.001°
• β: 90.076 ± 0.001°
• γ: 92.765 ± 0.001°
• Cell volume: 4703.52 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No