Information card for entry 7130519

Structure parameters

• Formula: C51 H46 Al B F36 N O5 P
• Calculated formula: C51 H46 Al B F36 N O5 P
• SMILES: [P+]1(C(OB1N(C1CCCCC1)C1CCCCC1)(c1ccccc1)c1ccccc1)(C(C)(C)C)c1ccccc1.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• 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: 12.7439 ± 0.0009 Å
• b: 15.5369 ± 0.0012 Å
• c: 16.9795 ± 0.0012 Å
• α: 108.554 ± 0.005°
• β: 92.179 ± 0.006°
• γ: 107.303 ± 0.006°
• Cell volume: 3010.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No