Information card for entry 7112899

Structure parameters

• Formula: C60 H100 B3 Ir O6 P2
• Calculated formula: C60 H100 B3 Ir O6 P2
• Title of publication: Electronic effects in iridium C-H borylations: insights from unencumbered substrates and variation of boryl ligand substituents.
• Authors of publication: Vanchura, 2nd, Britt A; Preshlock, Sean M.; Roosen, Philipp C.; Kallepalli, Venkata A.; Staples, Richard J.; Maleczka, Jr, Robert E; Singleton, Daniel A.; Smith, 3rd, Milton R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 7724 - 7726
• a: 14.715 ± 0.002 Å
• b: 14.882 ± 0.002 Å
• c: 17.249 ± 0.002 Å
• α: 78.098 ± 0.002°
• β: 85.375 ± 0.002°
• γ: 65.636 ± 0.002°
• Cell volume: 3366.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No