Information card for entry 7012761

Structure parameters

• Common name: [Rh6(CO)14(PhP(2-thienyl)2)]
• Formula: C28 H11 O14 P Rh6 S2
• Calculated formula: C28 H11 O14 P Rh6 S2
• SMILES: [C]12(=O)[Rh]34567([C]8(=[O])[Rh]9%10%114([C]4(=[O])[Rh]%12159(C#[O])([s]1c(ccc1)[P]3(c1cccs1)c1ccccc1)[Rh]13%114([C]4(=[O])[Rh]68%101(C#[O])(C#[O])[Rh]27%1234(C#[O])C#[O])(C#[O])C#[O])(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: 9.4304 ± 0.0019 Å
• b: 16.894 ± 0.003 Å
• c: 11.371 ± 0.002 Å
• α: 90°
• β: 105.34 ± 0.03°
• γ: 90°
• Cell volume: 1747.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No