Information card for entry 4305471

Structure parameters

• Formula: C46 H44 Cl2 O2 P2 Rh2 S2
• Calculated formula: C46 H44 Cl2 O2 P2 Rh2 S2
• SMILES: [Rh]12([S]3[Rh]([S]1C3(Cc1ccccc1)Cc1ccccc1)([P](CCCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])C#[O].ClCCl
• Title of publication: Synthesis, Structural Characterization, and Ligand Replacement Reactions of gem-Dithiolato-Bridged Rhodium and Iridium Complexes
• Authors of publication: Angel B. Rivas; José M. Gascón; Fernando J. Lahoz; Ana I. Balana; Alvaro J. Pardey; Luis A. Oro; Jesús J. Pérez-Torrente
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6090 - 6104
• a: 17.6034 ± 0.0012 Å
• b: 10.687 ± 0.0007 Å
• c: 24.2161 ± 0.0017 Å
• α: 90°
• β: 107.741 ± 0.001°
• γ: 90°
• Cell volume: 4339.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No