Information card for entry 7719174

Structure parameters

• Formula: C25 H30 F6 N3 O3 P Ru
• Calculated formula: C25 H30 F6 N3 O3 P Ru
• Title of publication: Ligand modification for the tuning of activity and selectivity in the chemoselective transfer hydrogenation of α,β-unsaturated carbonyls using EtOH as a hydrogen source.
• Authors of publication: Beaufils, Alicia; Elia, Nicole; Reuge, Sabela; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13155 - 13165
• a: 8.77993 ± 0.00009 Å
• b: 9.12402 ± 0.00011 Å
• c: 18.0299 ± 0.0002 Å
• α: 81.6256 ± 0.001°
• β: 80.8187 ± 0.0009°
• γ: 73.6818 ± 0.0009°
• Cell volume: 1360.63 ± 0.03 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No