Information card for entry 4112482

Structure parameters

• Formula: C33 H33 O14 P Pd Ru6
• Calculated formula: C33 H33 O14 P Pd Ru6
• SMILES: [Pd]12([Ru]3456([Ru]789%10%11%12%13%14([Ru]%15%16%1713([Ru]13%187([Ru]748([Ru]5%151([C]69%1637)(C#[O])(C#[O])C#[O])(C%18=O)(C#[O])C#[O])(C%17=O)(C#[O])C#[O])(C#[O])C#[O])[cH]1[cH]%14[cH]%13[cH]%12[cH]%11[cH]%101)(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: 8.9793 ± 0.0009 Å
• b: 13.7655 ± 0.0014 Å
• c: 17.1762 ± 0.0018 Å
• α: 77.464 ± 0.002°
• β: 88.967 ± 0.002°
• γ: 81.998 ± 0.002°
• Cell volume: 2052.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No