Information card for entry 4103542

Structure parameters

• Formula: C59 H56 Cl2 F5 Ir2 O6.5 P4 S
• Calculated formula: C59 H56 Cl2 F5 Ir2 O6.5 P4 S
• Title of publication: The Bridged Binding Mode as a New, Versatile Template for the Selective Activation of Carbon-Fluorine Bonds in Fluoroolefins: Activation of Trifluoroethylene
• Authors of publication: Michael E. Slaney; D. Jason Anderson; Michael J. Ferguson; Robert McDonald; Martin Cowie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16544 - 16558
• a: 13.0038 ± 0.0004 Å
• b: 24.7743 ± 0.0008 Å
• c: 18.3417 ± 0.0006 Å
• α: 90°
• β: 94.3755 ± 0.0004°
• γ: 90°
• Cell volume: 5891.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No