Information card for entry 4072005

Structure parameters

• Formula: C31 H54 O P2 Ru
• Calculated formula: C31 H54 O P2 Ru
• SMILES: C(#[O])[RuH2]12([CH]3=[CH]1CC(C3)[P]2(C1CCCC1)C1CCCC1)[P](C1CCCC1)(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: 15.835 ± 0.003 Å
• b: 8.3164 ± 0.0017 Å
• c: 22.417 ± 0.005 Å
• α: 90°
• β: 98.27 ± 0.03°
• γ: 90°
• Cell volume: 2921.4 ± 1.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0688
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No