Information card for entry 4113821

Structure parameters

• Formula: C30 H18 F9 Ir N6
• Calculated formula: C30 H18 F9 Ir N6
• Title of publication: Synthesis and Characterization of Facial and Meridional Tris-cyclometalated Iridium(III) Complexes
• Authors of publication: Arnold B. Tamayo; Bert D. Alleyne; Peter I. Djurovich; Sergey Lamansky; Irina Tsyba; Nam N. Ho; Robert Bau; Mark E. Thompson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7377 - 7387
• a: 11.5923 ± 0.001 Å
• b: 33.878 ± 0.003 Å
• c: 15.5667 ± 0.0014 Å
• α: 90°
• β: 103.03 ± 0.002°
• γ: 90°
• Cell volume: 5956 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No