Information card for entry 4069772

Structure parameters

• Formula: C36 H47 F3 N O5 P3 Ru S
• Calculated formula: C36 H47 F3 N O5 P3 Ru S
• SMILES: [RuH]12([P](Oc3[n]2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F
• Title of publication: Formation of Stabletrans-Dihydride Ruthenium(II) and 16-Electron Ruthenium(0) Complexes Based on Phosphinite PONOP Pincer Ligands. Reactivity toward Water and Electrophiles
• Authors of publication: Salem, Hiyam; Shimon, Linda J. W.; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4791
• a: 12.8189 ± 0.0002 Å
• b: 11.9722 ± 0.0002 Å
• c: 24.7335 ± 0.0003 Å
• α: 90°
• β: 90.9097 ± 0.0007°
• γ: 90°
• Cell volume: 3795.38 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No