Information card for entry 7130268

Structure parameters

• Formula: C11 H10 F7 P Ru
• Calculated formula: C11 H10 F7 P Ru
• Title of publication: Enolate SNAr of unactivated arenes via [(η6-arene)RuCp]+ intermediates
• Authors of publication: Williams, Luke J.; Bhonoah, Yunas; Walton, James W.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.9922 ± 0.0002 Å
• b: 9.5814 ± 0.0003 Å
• c: 7.2372 ± 0.0002 Å
• α: 90°
• β: 96.57 ± 0.001°
• γ: 90°
• Cell volume: 619.45 ± 0.03 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No