Information card for entry 7717448

Structure parameters

• Formula: C33 H28 Al B Cl2 F38 N3 O5
• Calculated formula: C33 H28 Al B Cl2 F38 N3 O5
• 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: 17.9189 ± 0.0009 Å
• b: 16.7776 ± 0.0008 Å
• c: 18.8717 ± 0.001 Å
• α: 90°
• β: 115.592 ± 0.004°
• γ: 90°
• Cell volume: 5116.9 ± 0.5 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: 0.1753
• Residual factor for significantly intense reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No