Information card for entry 7011096

Structure parameters

• Formula: C14 H27 Ir O S
• Calculated formula: C14 H27 Ir O S
• SMILES: [Ir]1234([S](=O)(C)C)(C)(C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Oxidatively induced M‒C bond cleavage reactions of Cp*Ir(Me2SO)Me2 and Cp*Rh(Me2SO)Me2 (Cp* = η5-C5Me5)
• Authors of publication: Erik Fooladi; Todd Graham; Michael L. Turner; Bjørn Dalhus; Peter M. Maitlis; Mats Tilset
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 975 - 982
• a: 8.8323 ± 0.001 Å
• b: 12.9126 ± 0.0015 Å
• c: 14.394 ± 0.0017 Å
• α: 99.865 ± 0.002°
• β: 96.01 ± 0.002°
• γ: 93.146 ± 0.002°
• Cell volume: 1604 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No