Information card for entry 7714197

Structure parameters

• Formula: C20 H28 B Br N P
• Calculated formula: C20 H28 B Br N P
• SMILES: BrB(P(C(C)(C)C)C(C)(C)C)N(c1ccccc1)c1ccccc1
• Title of publication: Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity
• Authors of publication: Kaniewska-Laskowska, Kinga; Ordyszewska, Anna; Wojnowski, Tomasz; Halenka, Hanna; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.3679 ± 0.0009 Å
• b: 12.3039 ± 0.0008 Å
• c: 14.0443 ± 0.0011 Å
• α: 90°
• β: 105.345 ± 0.006°
• γ: 90°
• Cell volume: 2061 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No