Information card for entry 7130269

Structure parameters

• Formula: C11 H10 Cl F6 P Ru
• Calculated formula: C11 H10 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: 9.0165 ± 0.0004 Å
• b: 13.3485 ± 0.0006 Å
• c: 10.9347 ± 0.0005 Å
• α: 90°
• β: 91.0311 ± 0.0018°
• γ: 90°
• Cell volume: 1315.85 ± 0.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No