Information card for entry 7117668

Structure parameters

• Formula: C18 H26 B F4 N Ru
• Calculated formula: C18 H26 B F4 N Ru
• Title of publication: Ruthenium-catalyzed nucleophilic fluorination of halobenzenes
• Authors of publication: Andrey I. Konovalov; Evgeniya O. Gorbacheva; Fedor M. Miloserdov; Vladimir V. Grushin
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13527
• a: 16.1385 ± 0.0009 Å
• b: 14.1014 ± 0.0009 Å
• c: 8.2801 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1884.35 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No