Information card for entry 4103541

Structure parameters

• Formula: C62.5 H60.5 Cl3.5 F8 Ir2 O8 P4 S2
• Calculated formula: C62.5 H60.5 Cl3.5 F8 Ir2 O8 P4 S2
• 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: 17.096 ± 0.002 Å
• b: 17.193 ± 0.002 Å
• c: 23.436 ± 0.003 Å
• α: 92.103 ± 0.0018°
• β: 93.6893 ± 0.0018°
• γ: 98.6202 ± 0.0018°
• Cell volume: 6789.1 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No