Information card for entry 7110955

Structure parameters

• Formula: C38 H42 N2 O4 P2 Ru
• Calculated formula: C38 H42 N2 O4 P2 Ru
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)C=C4OCC(N24)(C)C)([P](c2ccccc2)(c2ccccc2)CC2OCC([N]3=2)(C)C)OC(=[O]1)C
• Title of publication: Unexpected and then rational synthesis of a new class of anionic phosphino–oxazoline ligands; structure and catalytic properties of a ruthenium complex
• Authors of publication: Braunstein, Pierre; Naud, Frédéric; Graiff, Claudia; Tiripicchio, Antonio
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 897
• a: 18.256 ± 0.004 Å
• b: 20.59 ± 0.005 Å
• c: 20.454 ± 0.005 Å
• α: 90°
• β: 111.28 ± 0.06°
• γ: 90°
• Cell volume: 7164 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No