Information card for entry 7046992

Structure parameters

• Formula: C11 H12 F3 O5 Re
• Calculated formula: C11 H12 F3 O5 Re
• Title of publication: Synthesis, characterization and application of organorhenium(vii) trioxides in metathesis reactions and epoxidation catalysis.
• Authors of publication: Dyckhoff, Florian; Li, Su; Reich, Robert M.; Hofmann, Benjamin J.; Herdtweck, Eberhardt; Kühn, Fritz E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9755 - 9764
• a: 16.0247 ± 0.0004 Å
• b: 6.6973 ± 0.0001 Å
• c: 24.9223 ± 0.0006 Å
• α: 90°
• β: 91.1148 ± 0.0011°
• γ: 90°
• Cell volume: 2674.21 ± 0.1 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0138
• Residual factor for significantly intense reflections: 0.013
• Weighted residual factors for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.0293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No