Information card for entry 4083043

Structure parameters

• Formula: C25 H31 O6 P Ru S2
• Calculated formula: C25 H31 O6 P Ru S2
• SMILES: [Ru]1234567([P](c8cc(ccc8S(=O)(=O)O2)C)(c2cc(ccc2S(=O)(=O)O1)C)C)C[C]3(C)=[CH]4CC[CH]5=[C]6(C)C7
• Title of publication: Ruthenium(IV) Complexes for Ethylene Insertion Polymerization
• Authors of publication: Friedberger, Tobias; Ziller, Joseph W.; Guan, Zhibin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1913
• a: 12.9654 ± 0.0007 Å
• b: 17.2909 ± 0.001 Å
• c: 22.5692 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5059.6 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No