Information card for entry 4079349

Structure parameters

• Formula: C25 H25 Ir
• Calculated formula: C25 H25 Ir
• Title of publication: Electron-Rich CpIr(biphenyl-2,2'-diyl) Complexes with π-Accepting Carbon Donor Ligands.
• Authors of publication: Graeupner, Jonathan; Brewster, Timothy P.; Blakemore, James D.; Schley, Nathan D.; Thomsen, Julianne M.; Brudvig, Gary W.; Hazari, Nilay; Crabtree, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7158 - 7164
• a: 7.1795 ± 0.0009 Å
• b: 11.8709 ± 0.0015 Å
• c: 22.508 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1918.3 ± 0.4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No