Information card for entry 4112479

Structure parameters

• Formula: C42 H54 O17 P2 Pt2 Ru6
• Calculated formula: C42 H54 O17 P2 Pt2 Ru6
• SMILES: [Pt]123([Ru]4567([Ru]89%10%11([Ru]%12%1314([Ru]14%14%158([Pt]8([Ru]%166%124([Ru]591([C]7%10%13%14%16)(C#[O])(C#[O])C%11=O)(C#[O])(C#[O])C8=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])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: Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5253 - 5267
• a: 18.187 ± 0.0005 Å
• b: 19.6886 ± 0.0006 Å
• c: 31.119 ± 0.0009 Å
• α: 90°
• β: 95.031 ± 0.001°
• γ: 90°
• Cell volume: 11100.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0773
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No