Information card for entry 4116274

Structure parameters

• Formula: C35.5 H31 B F8 Zr
• Calculated formula: C35.125 H30.875 B F8 Zr
• Title of publication: New Fluorinated 9-Borafluorene Lewis Acids
• Authors of publication: Preston A. Chase; Warren E. Piers; Brian O. Patrick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 12911 - 12912
• a: 25.241 ± 0.003 Å
• b: 10.755 ± 0.002 Å
• c: 24.913 ± 0.002 Å
• α: 90°
• β: 112.302 ± 0.003°
• γ: 90°
• Cell volume: 6257.2 ± 1.5 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections: 1.823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.823
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No