Information card for entry 4072003

Structure parameters

• Formula: C31 H50 O P2 Ru
• Calculated formula: C31 H50 O P2 Ru
• SMILES: C12C[CH]3=[CH](C1)[Ru]143([CH]3CC(C[CH]1=3)[P]4(C1CCCC1)C1CCCC1)(C#[O])[P]2(C1CCCC1)C1CCCC1
• Title of publication: Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols
• Authors of publication: Bolton, Paul D.; Grellier, Mary; Vautravers, Nicolas; Vendier, Laure; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5088
• a: 9.9048 ± 0.0004 Å
• b: 16.2576 ± 0.0005 Å
• c: 17.4663 ± 0.0005 Å
• α: 90°
• β: 98.693 ± 0.003°
• γ: 90°
• Cell volume: 2780.26 ± 0.16 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No