Information card for entry 2023476

Structure parameters

• Chemical name: Bis(diisopropylamino)fluoroborane
• Formula: C12 H28 B F N2
• Calculated formula: C12 H28 B F N2
• SMILES: FB(N(C(C)C)C(C)C)N(C(C)C)C(C)C
• Title of publication: Crystal structure of bis-(diiso-propyl-amino)-fluoro-borane.
• Authors of publication: Lenz, Tabea; Hebenbrock, Marian
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 401 - 404
• a: 6.3603 ± 0.0002 Å
• b: 7.644 ± 0.0003 Å
• c: 16.4098 ± 0.0006 Å
• α: 84.334 ± 0.001°
• β: 84.82 ± 0.001°
• γ: 67.518 ± 0.001°
• Cell volume: 732.38 ± 0.05 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: 0.045
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No