Information card for entry 4339835

Structure parameters

• Formula: C61 H60 N3 O37 Rh17
• Calculated formula: C61 H60 N3 O37 Rh17
• SMILES: [Rh]12345([Rh]6789([Rh]%10%11%121([Rh]1%132([Rh]236([Rh]367%101([Rh]17%10%14%15([Rh]%16%17%18%19%20%21%22%23[Rh]%24%25%26%27%28([Rh]%29%30%31%32%17([Rh]%17%33%341%16([Rh]1%16%35%36%37%10%20([Rh]%10%207%18([Rh]7%18%38%19%24([Rh]%19%21%25%291([Rh]%30%17%16(C%36=O)(C%32=O)(C#[O])C%34=O)([Rh]%35%107(C%37=O)(C%18=O)(C%19=O)C#[O])(C#[O])[C]%27%38=O)([C]%23%26=O)(C%20=O)C#[O])(C#[O])C%15=O)[C]%14%33=O)([C]%22%31=O)C#[O])(C#[O])C%28=O)C#[O])(C3=O)C6=O)([C]8%11=O)[C]%132=O)([C]49=O)(C#[O])C#[O])(C#[O])(C#[O])[C]5%12=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)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: 24.4555 ± 0.0015 Å
• b: 13.8637 ± 0.0015 Å
• c: 26.961 ± 0.003 Å
• α: 90°
• β: 109.257 ± 0.002°
• γ: 90°
• Cell volume: 8629.5 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No