Information card for entry 4064795

Structure parameters

• Common name: jonmg30
• Formula: C42 H60 B O P2 Rh
• Calculated formula: C42 H60 B O P2 Rh
• Title of publication: C‒CN Bond Activation of Benzonitrile with [Rh‒I(dippe)]−
• Authors of publication: Grochowski, Matthew R.; Morris, James; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5604
• a: 13.418 ± 0.003 Å
• b: 20.287 ± 0.004 Å
• c: 27.85 ± 0.006 Å
• α: 90°
• β: 90.38 ± 0.004°
• γ: 90°
• Cell volume: 7581 ± 3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No