Information card for entry 7116737

Structure parameters

• Formula: C6 H5 B K N3
• Calculated formula: C6 H5 B K N3
• 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: 9.5044 ± 0.0012 Å
• b: 9.976 ± 0.0013 Å
• c: 10.1345 ± 0.0013 Å
• α: 81.033 ± 0.003°
• β: 68.217 ± 0.003°
• γ: 83.514 ± 0.003°
• Cell volume: 879.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No