Information card for entry 7012762

Structure parameters

• Common name: Rh6(CO)14(PPh2(NC5H5))
• Formula: C31 H14 N O14 P Rh6
• Calculated formula: C31 H14 N O14 P Rh6
• SMILES: [Rh]12345([Rh]6789%10([Rh]%11%12%131([Rh]1%143([Rh]326([Rh]7%111([C]8%12=O)([C]%143=O)(C#[O])C#[O])([C]49=O)(C#[O])C#[O])([C]5%13=O)(C#[O])C#[O])(C#[O])[n]1c([P]%10(c2ccccc2)c2ccccc2)cccc1)C#[O])(C#[O])C#[O]
• 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: 9.906 ± 0.002 Å
• b: 11.924 ± 0.002 Å
• c: 15.821 ± 0.003 Å
• α: 91.53 ± 0.03°
• β: 94.34 ± 0.03°
• γ: 105.66 ± 0.03°
• Cell volume: 1792.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No