Information card for entry 4305363

Structure parameters

• Common name: [Rh2(BTSE)2Cl2]
• Chemical name: [Rh2(BTSE)2Cl2] 1
• Formula: C20 H44 Cl2 O4 Rh2 S4
• Calculated formula: C20 H44 Cl2 O4 Rh2 S4
• SMILES: [Rh]12([S](=O)(CC[S]1(=O)C(C)(C)C)C(C)(C)C)[Cl][Rh]1([Cl]2)[S](=O)(CC[S]1(=O)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine
• Authors of publication: Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6502 - 6512
• a: 21.5055 ± 0.0005 Å
• b: 21.5055 ± 0.0005 Å
• c: 11.7732 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4715.46 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No