Information card for entry 7109289

Structure parameters

• Formula: C95 H60 Al2 B2 Cl2 F72 Fe2 N2 O10
• Calculated formula: C95 H60 Al2 B2 Cl2 F72 Fe2 N2 O10
• Title of publication: Synthesis and Lewis acid properties of a ferrocene-based planar-chiral borenium cation
• Authors of publication: Jiawei Chen; Roger A. Lalancette; Frieder Jakle
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4893
• a: 19.2119 ± 0.0003 Å
• b: 14.9703 ± 0.0003 Å
• c: 19.5719 ± 0.0003 Å
• α: 90°
• β: 92.512 ± 0.001°
• γ: 90°
• Cell volume: 5623.62 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No