Information card for entry 4105697

Structure parameters

• Formula: C79 H84 Br14 Cd10 O25 P2 Pt19
• Calculated formula: C79 H84 Br14 Cd10 O25 P2 Pt19
• SMILES: [Pt]123456789%10%11[Pt]%12%13%14%15%16%17%18%19%20%21[Pt]%22%23%24%25%261([Pt]1%27%28%292%12([Pt]2%12%30%314%23([Pt]6([Cd]46%30([Pt]%23%308%242([Pt]283%13%22([Pt]3%139%23([Pt]9%225%14([Pt]5%14%237([Pt]7%10%151([Pt]1%11%27%125([Cd]%23([Br][Cd]%13%14([Br][Cd]%303([Br]4)Br)[O]=C(C)C)([Br][Cd]%311([Br]6)Br)Br)C#[O])([Pt]13%18%29([Pt]45%17%25%28([Pt]6%10%19%268([Pt]8%11%1629([Pt]2%20%227([Cd]793([Pt]3%12%13%21([Cd]46([Br][Cd]%10%11%13([Br][Cd]82%12([Br]9)Br)[O]=C(C)C)([Br][Cd]153([Br]7)[O]=C(C)C)[O]=C(C)C)C#[O])[O]=C(C)C)C#[O])C#[O])C#[O])C#[O])C#[O])C#[O])C#[O])C#[O])C#[O])C#[O])C#[O])[O]=C(C)C)C#[O])C#[O])C#[O])C#[O].[P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)C.CC(=O)C
• Title of publication: Icosahedral Pt-Centered Pt13 and Pt19 Carbonyl Clusters Decorated by [Cd5(μ-Br)5Br5-x(solvent)x]x+ Rings Reminiscent of the Decoration of Au-Fe-CO and Au-Thiolate Nanoclusters: A Unifying Approach to Their Electron Counts
• Authors of publication: Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2406 - 2409
• a: 17.2308 ± 0.0019 Å
• b: 28.34 ± 0.003 Å
• c: 32.657 ± 0.004 Å
• α: 90°
• β: 97.478 ± 0.002°
• γ: 90°
• Cell volume: 15811 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1825
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No