Information card for entry 4069089

Structure parameters

• Formula: C34 H26 Cl2 Ir N4
• Calculated formula: C34 H26 Cl2 Ir0.986 N4
• Title of publication: Cyclometalation of 6-Phenyl-2,2′-Bipyridine and Iridium: Synthesis, Characterization, and Reactivity Studies
• Authors of publication: Young, Kenneth J. H.; Yousufuddin, Muhammed; Ess, Daniel H.; Periana, Roy A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3395
• a: 12.0798 ± 0.0013 Å
• b: 13.2601 ± 0.0014 Å
• c: 13.3101 ± 0.0014 Å
• α: 101.207 ± 0.002°
• β: 104.31 ± 0.002°
• γ: 110.491 ± 0.002°
• Cell volume: 1840.2 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No