Information card for entry 4119086

Structure parameters

• Formula: C42 H54 O17 P2 Pd2 Ru6
• Calculated formula: C42 H54 O17 P2 Pd2 Ru6
• SMILES: [Pd]123([Ru]4567([Ru]89%10%11([Ru]%12%1314([Ru]148([Ru]8%14%1559([Pd]5([Ru]6%1218([C]7%10%134%14)(C#[O])(C#[O])C5=O)([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C%15=O)(C#[O])C#[O])(C#[O])(C#[O])C%11=O)(C#[O])(C#[O])C3=O)(C#[O])C#[O])(C#[O])(C#[O])C2=O)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand
• Authors of publication: Adams, Richard D.; Captain, Burjor; Fu, Wei; Hall, Michael B.; Manson, Josiah; Smith, Mark D.; Webster, Charles Edwin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Journal issue: 16
• Pages of publication: 5253 - 5267
• a: 15.1983 ± 0.0011 Å
• b: 19.7491 ± 0.0015 Å
• c: 35.841 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10757.8 ± 1.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4112481
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No