Information card for entry 7717444

Structure parameters

• Formula: C40 H50 Al B F36 N3 O4 P
• Calculated formula: C37 H43 Al B F36 N3 O4 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: 20.8857 ± 0.0005 Å
• b: 10.4808 ± 0.0003 Å
• c: 26.6399 ± 0.0006 Å
• α: 90°
• β: 104.993 ± 0.002°
• γ: 90°
• Cell volume: 5632.9 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.2497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No