Information card for entry 4321380

Structure parameters

• Formula: C37 H42 Cl4 N2 O2 P2 Ru
• Calculated formula: C37 H40 Cl4 N2 O2 P2 Ru
• SMILES: [Ru]12([P](CC3OCC([N]1=3)(C)C)(c1ccccc1)c1ccccc1)([P](CC1OCC([N]2=1)(C)C)(c1ccccc1)c1ccccc1)(Cl)Cl.ClCCl
• Title of publication: Synthesis and Crystal Structures of Ru(II) Complexes Containing Chelating (Phosphinomethyl)oxazoline P,N-Type Ligands and Asymmetric Catalytic Transfer Hydrogenation of Acetophenone in Propan-2-ol
• Authors of publication: Pierre Braunstein; Claudia Graiff; Frédéric Naud; Andreas Pfaltz; Antonio Tiripicchio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4468 - 4475
• a: 15.757 ± 0.005 Å
• b: 12.212 ± 0.004 Å
• c: 11.39 ± 0.003 Å
• α: 68.47 ± 0.05°
• β: 73.75 ± 0.06°
• γ: 67.25 ± 0.05°
• Cell volume: 1855.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1274
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No