Information card for entry 4305368

Structure parameters

• Common name: [Rh(BMSE)(Pyridine)(Cl)]
• Chemical name: [Rh(BMSE)(Pyridine)(Cl)] 11
• Formula: C9 H15 Cl N O2 Rh S2
• Calculated formula: C9 H15 Cl N O2 Rh S2
• SMILES: [Rh]1(Cl)([S](=O)(CC[S]1(=O)C)C)[n]1ccccc1
• 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: 8.1388 ± 0.0001 Å
• b: 17.7196 ± 0.0003 Å
• c: 9.785 ± 0.0001 Å
• α: 90°
• β: 108.482 ± 0.001°
• γ: 90°
• Cell volume: 1338.38 ± 0.03 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No