Information card for entry 4063804

Structure parameters

• Chemical name: 1,2,2,6,6-pentamethylpiperidinium tris(pentafluorophenyl)hydroborate
• Formula: C28 H23 B F15 N
• Calculated formula: C28 H23 B F15 N
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[BH](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C[NH+]1C(CCCC1(C)C)(C)C
• 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: 10.7424 ± 0.0001 Å
• b: 11.2219 ± 0.0001 Å
• c: 13.6153 ± 0.0001 Å
• α: 81.196 ± 0.001°
• β: 72.844 ± 0.001°
• γ: 63.415 ± 0.001°
• Cell volume: 1402.06 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.0598
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No