Information card for entry 4067215

Structure parameters

• Formula: C46 H32 B Cl0.5 F15 N2
• Calculated formula: C46 H32 B Cl0.5 F15 N2
• Title of publication: Deprotonation and Addition Reactions of Frustrated Lewis Pairs with Alkynes
• Authors of publication: Dureen, Meghan A.; Brown, Christopher C.; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6594
• a: 11.256 ± 0.0007 Å
• b: 12.2232 ± 0.0008 Å
• c: 16.5685 ± 0.0011 Å
• α: 104.065 ± 0.004°
• β: 107.259 ± 0.004°
• γ: 90.364 ± 0.004°
• Cell volume: 2104.1 ± 0.2 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: 0.1316
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2612
• Weighted residual factors for all reflections included in the refinement: 0.283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No