Information card for entry 4069769

Structure parameters

• Formula: C18 H32 Cl N O3 P2 Ru
• Calculated formula: C18 H32 Cl N O3 P2 Ru
• SMILES: [RuH]12(Cl)([P](Oc3[n]2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)C#[O]
• 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: 16.303 ± 0.003 Å
• b: 15.896 ± 0.003 Å
• c: 18.185 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4712.7 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No