Information card for entry 4083044

Structure parameters

• Formula: C29 H39 Cl2 O6 P Ru S2
• Calculated formula: C29 H39 Cl2 O6 P Ru S2
• SMILES: [Ru]1234567([P](c8c(S(=O)(=O)O1)ccc(c8)C)(c1c(S(=O)(=O)O2)ccc(c1)C)C(C)(C)C)C[C]3(=[CH]4CC[CH]5=[C]6(C7)C)C.C(Cl)Cl
• 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: 14.7647 ± 0.0009 Å
• b: 13.6816 ± 0.0008 Å
• c: 16.0357 ± 0.001 Å
• α: 90°
• β: 106.591 ± 0.0007°
• γ: 90°
• Cell volume: 3104.4 ± 0.3 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 7
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No