Information card for entry 4069776

Structure parameters

• Formula: C23 H41 N O5 P2 Ru
• Calculated formula: C23 H41 N O5 P2 Ru
• SMILES: [RuH]1([P](O)(C(C)(C)C)C(C)(C)C)([P](Oc2n1c(=O)ccc2)(C(C)(C)C)C(C)(C)C)(C#[O])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: 14.7874 ± 0.0004 Å
• b: 9.2745 ± 0.0003 Å
• c: 19.7832 ± 0.0006 Å
• α: 90°
• β: 95.006 ± 0.002°
• γ: 90°
• Cell volume: 2702.83 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No