Information card for entry 4081992

Structure parameters

• Formula: C20 H23 F3 N4 O4 Ru S
• Calculated formula: C20 H23 F3 N4 O4 Ru S
• Title of publication: Comparison of the Catalytic Activity of [(η5-C5H5)Ru(2,2′-bipyridine)(L)]OTf versus [(η5-C5H5)Ru(6,6′-diamino-2,2′-bipyridine)(L)]OTf (L = labile ligand) in the Hydrogenation of Cyclohexanone. Evidence for the Presence of a Metal‒Ligand Bifunctional Mechanism under Acidic Conditions
• Authors of publication: DiMondo, Domenico; Thibault, Michelle E.; Britten, James; Schlaf, Marcel
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6541
• a: 9.377 ± 0.002 Å
• b: 10.412 ± 0.002 Å
• c: 11.904 ± 0.003 Å
• α: 78.484 ± 0.004°
• β: 76.307 ± 0.004°
• γ: 82.865 ± 0.005°
• Cell volume: 1102.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0885
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No