Information card for entry 7019736

Structure parameters

• Common name: tris(2,2,2nonafluorobiphenyl)borane
• Chemical name: tris(2,2,2nonafluorobiphenyl)borane
• Formula: C36 B F27
• Calculated formula: C36 B F27
• SMILES: Fc1c(F)c(F)c(F)c(c1F)c1c(B(c2c(F)c(F)c(F)c(F)c2c2c(F)c(F)c(F)c(F)c2F)c2c(c(F)c(c(F)c2F)F)c2c(F)c(F)c(c(F)c2F)F)c(F)c(F)c(F)c1F
• Title of publication: Heterolytic activation of hydrogen using frustrated Lewis pairs containing tris(2,2',2''-perfluorobiphenyl)borane.
• Authors of publication: Binding, Samantha C.; Zaher, Hasna; Mark Chadwick, F.; O'Hare, Dermot
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9061 - 9066
• a: 10.4698 ± 0.0003 Å
• b: 16.4472 ± 0.0005 Å
• c: 20.0203 ± 0.0006 Å
• α: 77.4208 ± 0.0015°
• β: 90.005 ± 0.0015°
• γ: 80.2753 ± 0.0016°
• Cell volume: 3313.93 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections: 0.2484
• Weighted residual factors for significantly intense reflections: 0.2264
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9663
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No