Information card for entry 7130274

Structure parameters

• Formula: C12 H12 Cl F6 P Ru
• Calculated formula: C12 H12 Cl F6 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: 13.8713 ± 0.0006 Å
• b: 13.8734 ± 0.0006 Å
• c: 14.9953 ± 0.0007 Å
• α: 89.4442 ± 0.0016°
• β: 79.4373 ± 0.0016°
• γ: 89.6981 ± 0.0016°
• Cell volume: 2836.7 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0658
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No