Information card for entry 7014897

Structure parameters

• Common name: 2,2,6,6-Tetramethylpiperidinium phenethylbis(pentafluorophenyl)hydridoborate
• Chemical name: 2,2,6,6-Tetramethylpiperidinium phenethylbis(pentafluorophenyl)hydridoborate
• Formula: C29 H30 B F10 N
• Calculated formula: C29 H30 B F10 N
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[BH](c1c(c(c(c(c1F)F)F)F)F)CCc1ccccc1.C1(CCCC(C)(C)[NH2+]1)(C)C
• Title of publication: Reversible, metal-free hydrogen activation by frustrated Lewis pairs.
• Authors of publication: Jiang, Chunfang; Blacque, Olivier; Fox, Thomas; Berke, Heinz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 1091 - 1097
• a: 9.4346 ± 0.0002 Å
• b: 11.4068 ± 0.0003 Å
• c: 14.4546 ± 0.0003 Å
• α: 74.034 ± 0.002°
• β: 87.133 ± 0.002°
• γ: 68.809 ± 0.002°
• Cell volume: 1392.33 ± 0.06 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: 0.0781
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No