Information card for entry 4064464

Structure parameters

• Formula: C39 H47 O4 P Ru
• Calculated formula: C39 H47 O4 P Ru
• SMILES: [Ru]123([P@](c4ccccc4O1)(c1ccccc1)C(C)(C)C(C)(C)C)([O](c1c(C=3)cccc1)C(C)C)[O]=C(O2)c1c(cc(cc1C)C)C
• Title of publication: Non-innocent Character of Oxyanions in Ruthenium Metathesis Catalysts
• Authors of publication: Jović, Marija; Torker, Sebastian; Chen, Peter
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 3971
• a: 9.5318 ± 0.0002 Å
• b: 14.4071 ± 0.0003 Å
• c: 12.5559 ± 0.0002 Å
• α: 90°
• β: 92.8246 ± 0.0008°
• γ: 90°
• Cell volume: 1722.15 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No