Information card for entry 4336250

Structure parameters

• Formula: C43 H46 Ag F3 Ir2 N2 O3 S
• Calculated formula: C43 H46 Ag F3 Ir2 N2 O3 S
• Title of publication: Probing the Oxidation Chemistry of Half-Sandwich Iridium Complexes with Oxygen Atom Transfer Reagents
• Authors of publication: Christopher R. Turlington; Daniel P. Harrison; Peter S. White; Maurice Brookhart; Joseph L. Templeton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11351 - 11360
• a: 8.5002 ± 0.0002 Å
• b: 24.2243 ± 0.0005 Å
• c: 12.2503 ± 0.0002 Å
• α: 90°
• β: 101.345 ± 0.001°
• γ: 90°
• Cell volume: 2473.19 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036109
• Residual factor for significantly intense reflections: 0.035448
• Weighted residual factors for all reflections included in the refinement: 0.094271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04332
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No