Information card for entry 4131326

Structure parameters

• Common name: tes009
• Chemical name: tes009
• Formula: C38 H33 Cl2 I2 O P2 Rh
• Calculated formula: C38 H33 Cl2 I2 O P2 Rh
• Title of publication: Direct Formation of Carbon(sp³)-Heteroatom Bonds from Rh^III To Produce Methyl Iodide, Thioethers, and Alkylamines.
• Authors of publication: Stevens, Tyler E.; Smoll, Karena A.; Goldberg, Karen I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 23
• Pages of publication: 7725 - 7728
• a: 12.551 ± 0.002 Å
• b: 14.785 ± 0.002 Å
• c: 19.348 ± 0.003 Å
• α: 90°
• β: 90.638 ± 0.008°
• γ: 90°
• Cell volume: 3590.1 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No