Information card for entry 4063803

Structure parameters

• Chemical name: 2,2-Dimethylpiperidinium tris(pentafluorophenyl)hydroborate benzene toluene solvates
• Formula: C63 H48 B2 F30 N2
• Calculated formula: C63 H48 B2 F30 N2
• Title of publication: Heterolytic Cleavage of H2by Frustrated B/N Lewis Pairs
• Authors of publication: Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2117
• a: 12.3238 ± 0.0002 Å
• b: 16.616 ± 0.0002 Å
• c: 15.7963 ± 0.0002 Å
• α: 90°
• β: 107.804 ± 0.002°
• γ: 90°
• Cell volume: 3079.73 ± 0.08 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No