Information card for entry 4069774

Structure parameters

• Formula: C22 H41 N O3 P2 Ru
• Calculated formula: C22 H41 N O3 P2 Ru
• SMILES: [RuH2]12([n]3c(cccc3O[P]2(C(C)(C)C)C(C)(C)C)O[P]1(C(C)(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: 14.8727 ± 0.0006 Å
• b: 13.0273 ± 0.0006 Å
• c: 14.8764 ± 0.0006 Å
• α: 90°
• β: 119.649 ± 0.002°
• γ: 90°
• Cell volume: 2504.94 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No