Information card for entry 4347789

Structure parameters

• Formula: C104 H109 N9 O40 Pt40
• Calculated formula: C104 H109 N9 O40 Pt40
• SMILES: [Pt]123456789%10[Pt]%11%12%13%14%15%16%17%18%19[Pt]%20%21%22%23%24%25%26%27[Pt]%28%29%30%31%32%33%34%35%36[Pt]%37%38%39%40%41%42%43%44%20[Pt]%20%45%46%47%48%493%29[Pt]3%29%50%511%11%21%28[Pt]1%11%212%12([Pt]2%12%288([Pt]87([Pt]76%46([Pt]%49([Pt]6%46%35%42%47([Pt]%35%42%47%41([Pt]%41%49%22%31%37([Pt]%22%25([Pt]%25%18%26([Pt]%16([Pt]%17%11%12([Pt]%11%129%152([Pt]295%13%23%38%45([Pt]5%11([Pt]%11%392([Pt]%43%35(C%11=O)C#[O])C5=O)C#[O])[Pt]25%40([Pt]%129(C2=O)C#[O])[Pt]%44%47(C5=O)C#[O])C#[O])([Pt]2%19([Pt]5%14%24([Pt]%27%41(C#[O])C5=O)C2=O)C#[O])C#[O])(C#[O])C%25=O)C%22=O)C#[O])([Pt]25%33([Pt]9%32%29([Pt]%11%12%303([Pt]%501(C%12=O)C#[O])([Pt]%34([Pt]%36%46%42%492C#[O])(C#[O])C%11=O)[Pt]1%486([Pt]24%20([Pt]%10%28(C#[O])C2=O)C1=O)C#[O])([Pt]%51%21(C#[O])C9=O)C5=O)C#[O])C#[O])C#[O])C#[O])(C7=O)C#[O])C8=O)C#[O])C#[O])C#[O].[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[N+](CC)(CC)(CC)CC.N#CC.N#CC.N#CC
• Title of publication: Syntheses, Structures, and Electrochemistry of the Defective ccp [Pt33(CO)38](2-) and the bcc [Pt40(CO)40](6-) Molecular Nanoclusters.
• Authors of publication: Cattabriga, Enrico; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 6068 - 6079
• a: 15.778 ± 0.002 Å
• b: 16.481 ± 0.002 Å
• c: 28.555 ± 0.004 Å
• α: 81.061 ± 0.002°
• β: 81.175 ± 0.002°
• γ: 89.248 ± 0.002°
• Cell volume: 7247.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No