Information card for entry 7050367

Structure parameters

• Common name: Pentamethylphenyloxocarbonium hexafluoroantimonate, dichloromethane monosolvate
• Chemical name: Pentamethylphenyloxocarbonium hexafluoroantimonate, dichloromethane monosolvate
• Formula: C13 H17 Cl2 F6 O Sb
• Calculated formula: C13 H17 Cl2 F6 O Sb
• Title of publication: Structural Effects of Carbon-Monoxide Coordination to Carbon Centers. p and s Bindings in Aliphatic Acyl versus Aromatic Aroyl Cations
• Authors of publication: Jay Kochi; Milya G. Davlieva; Sergey V. Lindeman
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 7.6218 ± 0.0006 Å
• b: 12.7753 ± 0.0009 Å
• c: 18.2425 ± 0.0014 Å
• α: 90°
• β: 90.641 ± 0.001°
• γ: 90°
• Cell volume: 1776.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No