Information card for entry 7130272

Structure parameters

• Formula: C13 H14 F6 N O2 P Ru
• Calculated formula: C13 H14 F6 N O2 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: 16.7069 ± 0.0007 Å
• b: 14.2729 ± 0.0006 Å
• c: 14.1391 ± 0.0006 Å
• α: 90°
• β: 112.203 ± 0.001°
• γ: 90°
• Cell volume: 3121.6 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No