Information card for entry 7717445

Structure parameters

• Formula: C28 H56 B2 Br2 Cl4 N6 O
• Calculated formula: C28 H56 B2 Br2 Cl4 N6 O
• 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: 9.4236 ± 0.0005 Å
• b: 12.6085 ± 0.0007 Å
• c: 16.8265 ± 0.0011 Å
• α: 89.856 ± 0.005°
• β: 82.239 ± 0.005°
• γ: 86.53 ± 0.005°
• Cell volume: 1977.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No