Information card for entry 4102033

Structure parameters

• Formula: C56 H72 B3 F4 O6 P2 Re
• Calculated formula: C56 H72 B3 F4 O6 P2 Re
• Title of publication: Homogeneous CO Hydrogenation: Dihydrogen Activation Involves a Frustrated Lewis Pair Instead of a Platinum Complex
• Authors of publication: Alexander J. M. Miller; Jay A. Labinger; John E. Bercaw
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3301 - 3303
• a: 9.7744 ± 0.0004 Å
• b: 10.3565 ± 0.0004 Å
• c: 14.9063 ± 0.0006 Å
• α: 92.554 ± 0.002°
• β: 104.359 ± 0.002°
• γ: 105.481 ± 0.002°
• Cell volume: 1398.82 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0311
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 2.373
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No