Information card for entry 4077608

Structure parameters

• Formula: C50.9 H60.3 I2 N3 O24.81 Rh15
• Calculated formula: C52.37 H59.22 I2 N3 O24.79 Rh15
• SMILES: [Rh]12345678([Rh]9%10%11%12%13%14%15%16[Rh]%17%18%19%20%21%22%23%24[Rh]%25%26%27%281([Rh]29%17([C]6%14%22%28[Rh]1269%14%17%22%285%12%20%27[Rh]5%12%20%27%29%30%31([Rh]%32%33%34%35%36%101([Rh]1%10%37%38%39%182([Rh]2%18%4065([Rh]%12%321([C]%28%29%34%37%18)(C#[O])(C%35=O)C%38=O)([Rh]1%25%17([Rh]4%14%27([Rh]3%119%20%33(C#[O])(C%16=O)C%36=O)(C#[O])(C%31=O)C1=O)([Rh]%19%26%22%102(C#[O])(C%23=O)C%39=O)(C#[O])C%40=O)(C#[O])C%30=O)[I]%21)[I]%13)C#[O])(C#[O])(C8=O)(C%15=O)C%24=O)(C#[O])C7=O)C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O=C(C)C
• Title of publication: Skeletal Growth by Condensation of Small Metal Fragments on a Carbido Carbonyl Cluster. Synthesis of the Anions [Rh15C2(CO)24X2]3-(X = Cl, Br, I) and Molecular Structure of the Bromo and Iodo Derivatives
• Authors of publication: Fumagalli, Alessandro; Martinengo, Secondo; Bernasconi, Giovanni; Noziglia, Luciana; Albano, Vincenzo G.; Monari, Magda; Castellari, Carlo
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 24
• Pages of publication: 5149
• a: 20.8365 ± 0.0002 Å
• b: 15.0577 ± 0.0002 Å
• c: 24.9047 ± 0.0003 Å
• α: 90°
• β: 93.693 ± 0.001°
• γ: 90°
• Cell volume: 7797.62 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.0648
• Goodness-of-fit parameter for all reflections: 0.988
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No