Information card for entry 4069553

Structure parameters

• Formula: C52 H53 N2 O2 P2 Ru
• Calculated formula: C52 H53 N2 O2 P2 Ru
• Title of publication: Pincer CNN Ruthenium(II) Complexes with Oxygen-Containing Ligands (O2CR, OAr, OR, OSiR3, O3SCF3): Synthesis, Structure, and Catalytic Activity in Fast Transfer Hydrogenation
• Authors of publication: Baratta, Walter; Ballico, Maurizio; Del Zotto, Alessandro; Herdtweck, Eberhardt; Magnolia, Santo; Peloso, Riccardo; Siega, Katia; Toniutti, Micaela; Zangrando, Ennio; Rigo, Pierluigi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4421
• a: 11.815 ± 0.004 Å
• b: 13.204 ± 0.004 Å
• c: 17.016 ± 0.004 Å
• α: 84.26 ± 0.03°
• β: 72.34 ± 0.02°
• γ: 66.9 ± 0.03°
• Cell volume: 2326.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No