Information card for entry 4326867

Structure parameters

• Formula: C43 H41 Cl3 F10 Ir N4 P
• Calculated formula: C43 H41 Cl3 F10 Ir N4 P
• SMILES: ClC(Cl)Cl.c1cc(cc2c3cc(cc[n]3[Ir]34(c5c(c6ccc(c[n]36)C)c(cc(c5)F)F)(c3cc(cc(c3c3ccc(c[n]43)C)F)F)[n]12)C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.106 ± 0.008 Å
• b: 24.022 ± 0.014 Å
• c: 15.686 ± 0.011 Å
• α: 90°
• β: 94.88 ± 0.06°
• γ: 90°
• Cell volume: 4545 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1509
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No