Information card for entry 4112515

Structure parameters

• Formula: C Cl3 F30 O6 Sb Te6
• Calculated formula: C Cl3 F30 O6 Sb Te6
• Title of publication: The Syntheses of Carbocations by Use of the Noble-Gas Oxidant, [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+ and BX3 (X = F, Cl, Br, I, OTeF5)
• Authors of publication: Hélène P. A. Mercier; Matthew D. Moran; Gary J. Schrobilgen; Christoph Steinberg; Reijo J. Suontamo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5533 - 5548
• a: 8.7059 ± 0.0019 Å
• b: 9.181 ± 0.002 Å
• c: 9.862 ± 0.002 Å
• α: 104.111 ± 0.005°
• β: 103.507 ± 0.005°
• γ: 98.851 ± 0.005°
• Cell volume: 724.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No