Information card for entry 4067275

Structure parameters

• Formula: C13 H15 Cl3 O3 Re Rh
• Calculated formula: C13 H15 Cl3 O3 Re Rh
• SMILES: [Re]12([Cl][Rh]3456([Cl]1)([Cl]2)[c]1([c]3([c]4([c]5([c]61C)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: 9.5709 ± 0.0006 Å
• b: 14.7376 ± 0.0009 Å
• c: 12.0776 ± 0.0007 Å
• α: 90°
• β: 90.189 ± 0.001°
• γ: 90°
• Cell volume: 1703.56 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0174
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No