Information card for entry 4076769

Structure parameters

• Formula: C32 H13 B F15 N
• Calculated formula: C32 H13 B F15 N
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B]([N](=Cc1ccccc1)Cc1ccccc1)(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: 14.144 ± 0.004 Å
• b: 13.679 ± 0.004 Å
• c: 15.863 ± 0.005 Å
• α: 90°
• β: 115.267 ± 0.006°
• γ: 90°
• Cell volume: 2775.5 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No