Information card for entry 4330817

Structure parameters

• Formula: C96 H118 N5 O50 Rh33
• Calculated formula: C96 H118 N5 O50 Rh33
• SMILES: [Rh]123456789%10[Rh]%11%12%13%14%15%16%17([Rh]%18%19%20%21%22%23%24%25%261[Rh]1%27%28%29%30%31%32%33%34%12[Rh]%12%35%36%37%38%39%40([Rh]%41%42%43%44%45%46%47([Rh]%48%49%50%51%523%13%181%12[Rh]13%12%132%11([Rh]2%11%18%53%544%41%48([Rh]4%41%48%55%36%42%503([Rh]3%36%42%14%27%35%491([Rh]1%14%27%35%17%30([Rh]%17%30%49%50%56%16%22%29([Rh]%16%22%29%57%58%19%28([Rh]%19%28%23%31%37%44%52([Rh]%23%31%37%446%21%43%512([Rh]26%21%43%24%16%19([Rh]%16%19%24%51%52%597%25%31([Rh]7%255%15%20%17([Rh]5%15%17%20%19([Rh]%19%31%307([Rh]%26%49%226%51%255([Rh]5%21%52%15([Rh]6%442%24([Rh]28%53%37%16([Rh]7%45%11%23([Rh]8%46%54%48([Rh]%11%12%184([Rh]4%13%413([Rh]3%39%55%42([Rh]%32%38%361(C3=O)(C%27=O)C#[O])(C4=O)C#[O])(C#[O])C%11=O)(C8=O)C#[O])(C7=O)C#[O])(C2=O)C#[O])(C6=O)C#[O])(C5=O)C#[O])(C#[O])C%17=O)([Rh]1%56%57%19([Rh]%33%14%50%29(C1=O)(C%35=O)C#[O])(C#[O])C%31=O)([C]%58%43=O)C#[O])(C%20=O)C#[O])C#[O])([C]9%59=O)C#[O])C#[O])C#[O])[C]%47%28=O)(C#[O])[C]%34%40=O)C#[O])C#[O])C#[O])C#[O])C#[O])C#[O])(C#[O])C%10=O)C#[O])C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.C(=O)(C)C.C(=O)(C)C.C(=O)(C)C
• Title of publication: New High-Nuclearity Carbonyl and Carbonyl-Substituted Rhodium Clusters and Their Relationships with Polyicosahedral Carbonyl-Substituted Palladium- and Gold-Thiolates
• Authors of publication: Dmitriy S. Dolzhnikov; Maria C. Iapalucci; Giuliano Longoni; Cristina Tiozzo; Stefano Zacchini; Cristina Femoni
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11214 - 11216
• a: 15.3097 ± 0.0016 Å
• b: 27.097 ± 0.003 Å
• c: 33.126 ± 0.003 Å
• α: 90°
• β: 91.073 ± 0.001°
• γ: 90°
• Cell volume: 13740 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.2425
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No