Information card for entry 7012763

Structure parameters

• Common name: Rh6(CO)15(P(C4H3O)3)
• Formula: C27 H9 O18 P Rh6
• Calculated formula: C27 H9 O18 P Rh6
• SMILES: [Rh]12345([Rh]6789([Rh]%10%111([Rh]1%12%133([Rh]326([Rh]7%101([C]93=O)([C]%11%13=O)(C#[O])C#[O])([C]5%12=O)(C#[O])C#[O])(C#[O])C#[O])([C]48=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])[P](c1ccco1)(c1ccco1)c1ccco1
• Title of publication: Chiral hexarhodium carbonyl clusters containing heterobidentate phosphine ligands; a structural and reactivity study
• Authors of publication: Sergey P. Tunik; Igor O. Koshevoy; Anthony J. Poë; David H. Farrar; Ebbe Nordlander; Matti Haukka; Tapani A. Pakkanen
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2457 - 2467
• a: 9.8477 ± 0.0004 Å
• b: 34.1917 ± 0.0013 Å
• c: 10.2373 ± 0.0004 Å
• α: 90°
• β: 103.297 ± 0.002°
• γ: 90°
• Cell volume: 3354.6 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0911
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No