Information card for entry 7246171

Structure parameters

• Formula: C28 H23 B N3 P
• Calculated formula: C28 H23 B N3 P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.[BH](C#N)(C#N)C#N
• 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: 13.4269 ± 0.0001 Å
• b: 17.485 ± 0.0001 Å
• c: 20.6372 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4844.98 ± 0.07 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 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: 0.0387
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No