Information card for entry 7028984

Structure parameters

• Formula: C69 H68 Co15 N3 O39 Pd9
• Calculated formula: C69 H68 Co15 N3 O39 Pd9
• SMILES: [Pd]123456789%10[Pd]%11%12%13%14%15%16%17%18[Pd]%19%20%21%22%23%241([Pd]1%25%26%27%28%29%30[Pd]%31%32%33%34%35%36%12[Pd]%12%37%38%39%13%19[Co]%13%19%40%41%26([Co]%26%42%43%44%21%12([Co]%12%21%22([Co]%22%45%46%23%27%13([Pd]%13%234%20%25([Co]4%20%25%27%47%485([Pd]5%4931%31([Pd]13%312%11([Co]2%11%508%205([Co]58%207([Co]7%516%134([Co]%2525([C]9%27%1187)(C%50=O)(C#[O])(C%51=O)C%47=O)(C#[O])C%20=O)(C#[O])C#[O])(C3=O)C%49=O)[Co]23456%16([Co]78%15([Co]9%11%13%14%32%37([Co]%14%15%3312([Co]379([C]%1748%11%14)(C5=O)(C%15=O)(C#[O])C%13=O)(C%31=O)C%35=O)(C%34=O)C%39=O)(C#[O])(C#[O])C6=O)C#[O])(C%48=O)[C]%30%36=O)C%23=O)C%45=O)([Co]%19%26%12([C]%24%40%42%21%22)(C%46=O)(C%41=O)(C#[O])C%43=O)C%28=O)(C#[O])(C%44=O)C#[O])C#[O])(C%38=O)C%29=O)C%10%18=[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O1CCCC1
• Title of publication: Structural rearrangements induced by acid-base reactions in metal carbonyl clusters: the case of [H3-nCo15Pd9C3(CO)38](n-) (n = 0-3).
• Authors of publication: Ciabatti, Iacopo; Femoni, Cristina; Gaboardi, Mattia; Iapalucci, Maria Carmela; Longoni, Giuliano; Pontiroli, Daniele; Riccò, Mauro; Zacchini, Stefano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4388 - 4399
• a: 13.9682 ± 0.0011 Å
• b: 27.3 ± 0.002 Å
• c: 24.2872 ± 0.0019 Å
• α: 90°
• β: 95.744 ± 0.001°
• γ: 90°
• Cell volume: 9215 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No