Information card for entry 7717446

Structure parameters

• Formula: C27 H48 B Br F2 N3 O P
• Calculated formula: C27 H48 B Br F2 N3 O P
• Title of publication: Activation of small molecules by ambiphilic NHC-stabilized phosphinoborenium cation: formation of boreniums with B-O-C, B-O-B, and B-O-P structural motifs
• Authors of publication: Wojnowski, Tomasz; Ordyszewska, Anna; Halenka, Hanna; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.6429 ± 0.0002 Å
• b: 16.5905 ± 0.0005 Å
• c: 18.152 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3205.12 ± 0.13 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No