Information card for entry 4084320

Structure parameters

• Common name: jonjcm27
• Chemical name: {[Cp*Rh(O-PhPy)]2}2+ [CF3SO3]2-
• Formula: C44 H46 F6 N2 O8 Rh2 S2
• Calculated formula: C44 H46 F6 N2 O8 Rh2 S2
• Title of publication: Exploring Oxidation of Half-Sandwich Rhodium Complexes: Oxygen Atom Insertion into the Rhodium‒Carbon Bond of κ2-Coordinated 2-Phenylpyridine
• Authors of publication: Turlington, Christopher R.; Morris, James; White, Peter S.; Brennessel, William W.; Jones, William D.; Brookhart, Maurice; Templeton, Joseph L.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4442
• a: 9.925 ± 0.003 Å
• b: 10.598 ± 0.003 Å
• c: 11.517 ± 0.003 Å
• α: 91.647 ± 0.004°
• β: 115.317 ± 0.004°
• γ: 91.827 ± 0.004°
• Cell volume: 1093.3 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No