Information card for entry 4331687

Structure parameters

• Formula: C60 H51 F6 Ir N9 P
• Calculated formula: C60 H51 F6 Ir N9 P
• Title of publication: Using Substituted Cyclometalated Quinoxaline Ligands To Finely Tune the Luminescence Properties of Iridium(III) Complexes
• Authors of publication: Emily E. Langdon-Jones; Andrew J. Hallett; Jack D. Routledge; David A. Crole; Benjamin D. Ward; James A. Platts; Simon J. A. Pope
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 448 - 456
• a: 13.1447 ± 0.0004 Å
• b: 14.1344 ± 0.0004 Å
• c: 16.5465 ± 0.0004 Å
• α: 80.842 ± 0.002°
• β: 75.902 ± 0.002°
• γ: 66.275 ± 0.001°
• Cell volume: 2723.15 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No