Information card for entry 7133588

Structure parameters

• Chemical name: ((chloromesityl-λ^5^-bismut)oxy)pyridinium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• Formula: C64 H50 B Bi Cl F24 N O
• Calculated formula: C64 H50 B Bi Cl F24 N O
• Title of publication: Synthesis and characterization of chlorotriarylbismuthonium salts.
• Authors of publication: Kuziola, Jennifer; Nöthling, Nils; Leutzsch, Markus; Cornella, Josep
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 76
• Pages of publication: 10532 - 10535
• a: 10.8125 ± 0.0004 Å
• b: 12.0526 ± 0.0004 Å
• c: 13.0336 ± 0.0005 Å
• α: 91.274 ± 0.002°
• β: 104.828 ± 0.002°
• γ: 99.677 ± 0.002°
• Cell volume: 1614.8 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No