Information card for entry 4326865

Structure parameters

• Formula: C40 H32 F6 Ir N8 P
• Calculated formula: C40 H32 F6 Ir N8 P
• Title of publication: Enhanced Luminescent Iridium(III) Complexes Bearing Aryltriazole Cyclometallated Ligands
• Authors of publication: Sébastien Ladouceur; Daniel Fortin; Eli Zysman-Colman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11514 - 11526
• a: 15.837 ± 0.004 Å
• b: 15.516 ± 0.004 Å
• c: 18.061 ± 0.004 Å
• α: 90°
• β: 115.297 ± 0.019°
• γ: 90°
• Cell volume: 4012.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2207
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.1749
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No