Information card for entry 7116736

Structure parameters

• Formula: C9 B F5 K N3
• Calculated formula: C9 B F5 K N3
• SMILES: [K+].[B](c1c(F)c(F)c(F)c(F)c1F)(C#N)(C#N)C#N
• Title of publication: Convenient access to the tricyanoborate dianion B(CN)3^2-^ and selected reactions as a boron-centred nucleophile
• Authors of publication: Johannes Landmann; Jan A. P. Sprenger; Rudiger Bertermann; Nikolai Ignatiev; Vera Bernhardt-Pitchougina; Eduard Bernhardt; Helge Willner; Maik Finze
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4989
• a: 11.894 ± 0.002 Å
• b: 12.782 ± 0.003 Å
• c: 7.5458 ± 0.0015 Å
• α: 90°
• β: 103.98 ± 0.03°
• γ: 90°
• Cell volume: 1113.2 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.035
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No