Information card for entry 4065683

Structure parameters

• Formula: C49 H53 Cl3 O4 P2 Rh2 S
• Calculated formula: C49 H53 Cl3 O4 P2 Rh2 S
• SMILES: [S]12[Rh]345([P](Cc6c2c(ccc6)C[P]([Rh]2671[CH]1=[CH]2CC[CH]6=[CH]7CC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]3CC[CH]4=[CH]5CC1.Cl(=O)(=O)(=O)[O-].C(Cl)Cl
• Title of publication: Synthesis of Oxygen- and Sulfur-Bridged Dirhodium Complexes and Their Use As Catalysts in the Chemoselective Hydrogenation of Alkenes
• Authors of publication: Zhu, Chuan; Yukimura, Noriaki; Yamane, Motoki
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2098
• a: 13.427 ± 0.006 Å
• b: 24.331 ± 0.01 Å
• c: 14.036 ± 0.006 Å
• α: 90°
• β: 99.584 ± 0.002°
• γ: 90°
• Cell volume: 4521 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No