Information card for entry 7714198

Structure parameters

• Formula: C109 H152 Al2 Au2 B4 Br4 F72 N4 O8 P4
• Calculated formula: C109 H152 Al2 Au2 B4 Br4 F72 N4 O8 P4
• 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: 24.839 ± 0.0011 Å
• b: 23.5598 ± 0.0008 Å
• c: 26.1742 ± 0.0012 Å
• α: 90°
• β: 91.128 ± 0.004°
• γ: 90°
• Cell volume: 15314.2 ± 1.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No