Information card for entry 4339834

Structure parameters

• Formula: C57 H72 N7 O25 Rh15
• Calculated formula: C57 H72 N7 O25 Rh15
• SMILES: [Rh]123456789[Rh]%10%11%12%13%14([Rh]%15%16%17%18%19%20%211[Rh]1%22%23%24%25%26%272[Rh]2%28%29%30%313%10([Rh]3%10%32%33%34%35%367[Rh]7%37%384([Rh]4%39%405%15([Rh]5%15%41613([Rh]%18%234([N]#CC)(C%21=O)(C%26=O)(C%40=O)C5=O)([Rh]%242%10([N]#CC)(C%27=O)(C%30=O)(C%15=O)C%34=O)[Rh]%33%37%39(C#[O])(C%36=O)(C%38=O)C%41=O)([Rh]8%12%177(C#[O])(C%14=O)C%20=O)C#[O])([Rh]9%13%28%32(C#[O])(C%31=O)C%35=O)C#[O])[Rh]%11%16%22(C#[O])(C%19=O)(C%25=O)C%29=O)C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.N#CC
• Title of publication: Synthesis and electrochemistry of new Rh-centered and conjuncto rhodium carbonyl clusters. X-ray structure of [NEt(4)](3)[Rh(15)(CO)(27)], [NEt(4)](3)[Rh(15)(CO)(25)(MeCN)(2)] x 2MeCN, and [NEt(4)](3)[Rh(17)(CO)(37)].
• Authors of publication: Collini, Davide; Biani, Fabrizia Fabrizi De; Fedi, Serena; Femoni, Cristina; Kaswalder, Francesco; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Zanello, Piero
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7971 - 7981
• a: 13.943 ± 0.002 Å
• b: 28.788 ± 0.005 Å
• c: 19.538 ± 0.003 Å
• α: 90°
• β: 91.51 ± 0.004°
• γ: 90°
• Cell volume: 7840 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No