Information card for entry 7714195

Structure parameters

• Formula: C24 H50 B Br Cl2 N3 P
• Calculated formula: C24 H50 B Br Cl2 N3 P
• 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: 17.2597 ± 0.0004 Å
• b: 10.7727 ± 0.0002 Å
• c: 18.5283 ± 0.0005 Å
• α: 90°
• β: 113.564 ± 0.002°
• γ: 90°
• Cell volume: 3157.77 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No