Information card for entry 4112478

Structure parameters

• Formula: C45 H60 O14 P2 Pd2 Ru6
• Calculated formula: C45 H60 O14 P2 Pd2 Ru6
• SMILES: [Pd]12([Ru]34567([Pd]89%10([Ru]%11%12%13%145([Ru]5%15%16%17%18%19%203([Ru]3%21%2214([Ru]1%115([Ru]68%123([C]7%13%15%211)(C%10=O)(C#[O])C#[O])(C%22=O)(C#[O])(C#[O])C%14=O)(C#[O])C#[O])[cH]1[cH]%16[cH]%17[cH]%18[cH]%19[cH]%201)(C#[O])C9=O)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(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: 15.2586 ± 0.0006 Å
• b: 16.2472 ± 0.0006 Å
• c: 22.7817 ± 0.0009 Å
• α: 90°
• β: 102.892 ± 0.001°
• γ: 90°
• Cell volume: 5505.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0752
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No