Information card for entry 2236519

Structure parameters

• Chemical name: Sodium pentafluorophenylborate
• Formula: C6 H3 B F5 Na
• Calculated formula: C6 H3 B F5 Na
• SMILES: [Na+].[BH3]c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Sodium pentafluorophenylborate
• Authors of publication: Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1371
• a: 4.6813 ± 0.001 Å
• b: 6.1986 ± 0.0016 Å
• c: 12.993 ± 0.003 Å
• α: 90°
• β: 92.995 ± 0.017°
• γ: 90°
• Cell volume: 376.51 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes