Information card for entry 7130521

Structure parameters

• Formula: C57 H64 Al B2 Cl3 F36 N2 O4 P2
• Calculated formula: C57 H64 Al B2 Cl3 F36 N2 O4 P2
• Title of publication: Phosphinoborinium cation: a synthon for cationic B-P bond systems
• Authors of publication: Kaniewska-Laskowska, Kinga; Klimsiak, Katarzyna; Szynkiewicz, Natalia; Chojnacki, Jarosław; Grubba, Rafał
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.7391 ± 0.0003 Å
• b: 15.3673 ± 0.0004 Å
• c: 20.1094 ± 0.0005 Å
• α: 89.963 ± 0.002°
• β: 74.734 ± 0.002°
• γ: 73.552 ± 0.002°
• Cell volume: 3630.76 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No