Information card for entry 7117382

Structure parameters

• Formula: C36 H32 B2 F20 N2
• Calculated formula: C36 H32 B2 F20 N2
• SMILES: Fc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[N+](CC)(CC)([BH2][N](CC)(CC)CC)CC
• Title of publication: Complete reductive cleavage of CO facilitated by highly electrophilic borocations
• Authors of publication: Liam D. Curless; Ewan R. Clark; Jessica Cid; Alessandro Del Grosso; Michael J. Ingleson
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10903
• a: 8.7661 ± 0.0005 Å
• b: 13.7257 ± 0.0007 Å
• c: 15.8543 ± 0.0008 Å
• α: 82.373 ± 0.004°
• β: 83.288 ± 0.004°
• γ: 81.661 ± 0.004°
• Cell volume: 1861.44 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No