Information card for entry 4076770

Structure parameters

• Formula: C31 H11 B F15 N
• Calculated formula: C31 H11 B F15 N
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B]([N](=Cc1ccccc1)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Solution and Solid-State Characteristics of Imine Adducts with Tris(pentafluorophenyl)borane
• Authors of publication: Blackwell, James M.; Piers, Warren E.; Parvez, Masood; McDonald, Robert
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1400
• a: 9.983 ± 0.002 Å
• b: 17.673 ± 0.004 Å
• c: 8.184 ± 0.002 Å
• α: 101.71 ± 0.02°
• β: 104.6 ± 0.02°
• γ: 86.36 ± 0.02°
• Cell volume: 1368.1 ± 0.6 ų
• Cell temperature: 170.2 K
• Ambient diffraction temperature: 170.2 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: 0.0403
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0409
• Goodness-of-fit parameter for all reflections: 2.793
• Goodness-of-fit parameter for significantly intense reflections: 2.793
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No