Information card for entry 4076766

Structure parameters

• Formula: C41.5 H21 B F15 N
• Calculated formula: C41.5 H17 B F15 N
• 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: 12.706 ± 0.005 Å
• b: 13.574 ± 0.007 Å
• c: 11.86 ± 0.008 Å
• α: 113.1 ± 0.04°
• β: 101.03 ± 0.05°
• γ: 96.88 ± 0.05°
• Cell volume: 1803.2 ± 1.9 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: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0397
• Goodness-of-fit parameter for all reflections: 1.403
• Goodness-of-fit parameter for significantly intense reflections: 1.403
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No