Information card for entry 7035975

Structure parameters

• Chemical name: tris{2,5-bis(trifluoromethyl)phenyl}borane
• Formula: C24 H9 B F18
• Calculated formula: C24 H9 B F18
• SMILES: B(c1c(ccc(c1)C(F)(F)F)C(F)(F)F)(c1c(ccc(c1)C(F)(F)F)C(F)(F)F)c1c(ccc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Exploring structural and electronic effects in three isomers of tris{bis(trifluoromethyl)phenyl}borane: towards the combined electrochemical-frustrated Lewis pair activation of H2.
• Authors of publication: Blagg, Robin J.; Lawrence, Elliot J.; Resner, Katie; Oganesyan, Vasily S.; Herrington, Thomas J.; Ashley, Andrew E.; Wildgoose, Gregory G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6023 - 6031
• a: 7.2951 ± 0.0005 Å
• b: 10.6358 ± 0.0007 Å
• c: 15.9794 ± 0.0011 Å
• α: 85.95 ± 0.004°
• β: 86.582 ± 0.004°
• γ: 74.846 ± 0.004°
• Cell volume: 1192.64 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No