Information card for entry 4108218

Structure parameters

• Formula: C29 H56 B F4 Ir O2 P2
• Calculated formula: C29 H56 B F4 Ir O2 P2
• Title of publication: Combined Experimental and Computational Studies on Carbon-Carbon Reductive Elimination from Bis(hydrocarbyl) Complexes of (PCP)Ir
• Authors of publication: Rajshekhar Ghosh; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11317 - 11327
• a: 10.7947 ± 0.0006 Å
• b: 11.3126 ± 0.0006 Å
• c: 15.4888 ± 0.0008 Å
• α: 106.138 ± 0.002°
• β: 97.056 ± 0.001°
• γ: 110.11 ± 0.001°
• Cell volume: 1655.37 ± 0.16 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: 0.0303
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No