Information card for entry 4067277

Structure parameters

• Formula: C27 H29 Cl O3 Re Rh S2
• Calculated formula: C27 H29 Cl O3 Re Rh S2
• SMILES: [Re]12([Cl][Rh]3456([S]1c1ccc(cc1)C)([S]2c1ccc(cc1)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C)(C#[O])(C#[O])C#[O]
• 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: 10.0727 ± 0.0004 Å
• b: 11.3045 ± 0.0005 Å
• c: 13.8148 ± 0.0009 Å
• α: 105.33 ± 0.001°
• β: 105.702 ± 0.001°
• γ: 105.9 ± 0.001°
• Cell volume: 1355.57 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No