Information card for entry 4067276

Structure parameters

• Formula: C14 H15 O4 Rh3 S2
• Calculated formula: C14 H15 O4 Rh3 S2
• SMILES: [Rh]12345([S]6[Rh]([S]1[Rh]6(C#[O])C#[O])(C#[O])C#[O])[c]1([c]4([c]5([c]2([c]31C)C)C)C)C
• Title of publication: Directed Synthesis of the Triangular Mixed-Metal Cluster H2RhRe2Cp*(CO)9: Ligand Fluxionality and Facile Cluster Fragmentation in the Presence of CO, Halogenated Solvents, and Thiols
• Authors of publication: Huang, Shih-Huang; Watson, William H.; Carrano, Carl J.; Wang, Xiaoping; Richmond, Michael G.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 61
• a: 8.442 ± 0.0011 Å
• b: 23.212 ± 0.003 Å
• c: 10.2361 ± 0.0014 Å
• α: 90°
• β: 103.347 ± 0.002°
• γ: 90°
• Cell volume: 1951.6 ± 0.4 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 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: 0.111
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No