Information card for entry 4079350

Structure parameters

• Formula: C43 H40 Cl2 Ir2
• Calculated formula: C43 H40 Cl2 Ir2
• 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: 25.3156 ± 0.0015 Å
• b: 25.3156 ± 0.0015 Å
• c: 10.7989 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6920.8 ± 0.7 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No