Information card for entry 4072006

Structure parameters

• Formula: C33 H54 O P2 Ru
• Calculated formula: C33 H54 O P2 Ru
• SMILES: C(#[O])[Ru]123([CH]#[CH]1)([CH]1CC(C[CH]2=1)[P]3(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: 13.0141 ± 0.0006 Å
• b: 15.4869 ± 0.0008 Å
• c: 16.3101 ± 0.0007 Å
• α: 90°
• β: 110.853 ± 0.004°
• γ: 90°
• Cell volume: 3071.9 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No