Information card for entry 1576271

Structure parameters

• Formula: C43 H56 Al B F36 N2 O4 P2
• Calculated formula: C43 H56 Al B F36 N2 O4 P2
• Title of publication: A crystalline phosphorus-substituted borinium ion: double dihydrogen activation by an ambiphilic inorganic allene
• Authors of publication: Ordyszewska-Lach, Anna; Cieplińska, Kinga; Anusiewicz, Iwona; Chojnacki, Jarosław; Kaniewska-Laskowska, Kinga; Grubba, Rafał
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 15.9121 ± 0.0013 Å
• b: 15.9121 ± 0.0013 Å
• c: 20.735 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4546.6 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No