Information card for entry 7104022

Structure parameters

• Formula: C47 H56 Cl3 Fe N2 P2 Ru
• Calculated formula: C47 H56 Cl3 Fe N2 P2 Ru
• Title of publication: A ruthenium catalyst that does not require an N‒H ligand to achieve high enantioselectivity for hydrogenation of an alkyl-aryl ketone
• Authors of publication: Leong, Carolyn G.; Akotsi, Okwado M.; Ferguson, Michael J.; Bergens, Steven H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 750 - 751
• a: 22.663 ± 0.003 Å
• b: 13.305 ± 0.0015 Å
• c: 14.5132 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4376.2 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No