Information card for entry 7125219

Structure parameters

• Formula: C4 H13 B F3 N
• Calculated formula: C4 H13 B F3 N
• Title of publication: Synthesis of the fluorohydridoborate anions [BHF₃]^- and [1-HF₂B-9,12-X₂-closo-1,2-C₂B₁₀H₉]^- (X = H, I): deboronation of 1,2- and 1,7-dicarba-closo-dodecaboranes with anhydrous [Me₄N]F.
• Authors of publication: Duda, Katharina; Himmelspach, Alexander; Landmann, Johannes; Kraus, Florian; Finze, Maik
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 90
• Pages of publication: 13241 - 13244
• a: 5.577 ± 0.0013 Å
• b: 11.436 ± 0.003 Å
• c: 11.447 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 730.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No