Information card for entry 7010523

Structure parameters

• Common name: 7 Rh6(CO)15(Me2SO)
• Formula: C17 H6 O16 Rh6 S
• Calculated formula: C17 H6 O16 Rh6 S
• SMILES: [Rh]12345([Rh]6789([Rh]%10%11%121([Rh]1%133([Rh]326([Rh]7%101([C]9%12=O)([C]%133=O)(C#[O])C#[O])([C]48=O)(C#[O])C#[O])([C]5%11=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O])([S](C)(C)=O)C#[O]
• Title of publication: Ligand effects on the structures of Rh6(CO)15L clusters
• Authors of publication: Farrar, David H.; Grachova, Elena V.; Lough, Alan; Patirana, Charles; Poë, Anthony J.; Tunik, Sergey P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 2015
• a: 9.4 ± 0.002 Å
• b: 9.841 ± 0.002 Å
• c: 14.668 ± 0.003 Å
• α: 99.08 ± 0.01°
• β: 96.83 ± 0.01°
• γ: 96.27 ± 0.01°
• Cell volume: 1319 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections: 0.81
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No