Information card for entry 1515177

Structure parameters

• Formula: C41.25 H10.5 B Cl0.25 F25 N2
• Calculated formula: C41.25 H10.5 B Cl0.25 F25 N2
• Title of publication: Reaction of pentaarylboroles with carbon monoxide: an isolable organoboron carbonyl complex
• Authors of publication: Fukazawa, Aiko; Dutton, Jason L.; Fan, Cheng; Mercier, Lauren G.; Houghton, Adrian Y.; Wu, Qiao; Piers, Warren E.; Parvez, Masood
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1814
• a: 11.003 ± 0.002 Å
• b: 19.158 ± 0.004 Å
• c: 20.004 ± 0.004 Å
• α: 76.77 ± 0.03°
• β: 85.03 ± 0.03°
• γ: 73.96 ± 0.03°
• Cell volume: 3943.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No