Information card for entry 7103449

Structure parameters

• Formula: C45 H76 Cl Ir O2 P2 Si
• Calculated formula: C45 H76 Cl Ir O2 P2 Si
• Title of publication: Room temperature benzene C-H activation by a new [PSiP]Ir pincer complex.
• Authors of publication: MacLean, Darren F; McDonald, Robert; Ferguson, Michael J; Caddell, Andrew J; Turculet, Laura
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5146 - 5148
• a: 17.1812 ± 0.0013 Å
• b: 15.0408 ± 0.0011 Å
• c: 18.3332 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4737.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No