Information card for entry 7012759

Structure parameters

• Common name: [Rh6(CO)14(Ph2P(2-benzothienyl))]
• Formula: C34 H15 O14 P Rh6 S
• Calculated formula: C34 H15 O14 P Rh6 S
• SMILES: [Rh]123456([Rh]789%10([Rh]%11%12%131([Rh]1%142([Rh]237([Rh]8%111([C]%10%13=O)([C]%142=O)(C#[O])C#[O])([C]59=O)(C#[O])C#[O])([C]6%12=O)(C#[O])C#[O])(C#[O])C#[O])([S]1C(=Cc2c1cccc2)[P]4(c1ccccc1)c1ccccc1)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: 11.7069 ± 0.0003 Å
• b: 19.2614 ± 0.0008 Å
• c: 17.2961 ± 0.0007 Å
• α: 90°
• β: 97.24 ± 0.002°
• γ: 90°
• Cell volume: 3869 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No