Information card for entry 7045777

Structure parameters

• Formula: C58 H48 Cl2 F10 Ir N4 P
• Calculated formula: C58 H48 Cl2 F10 Ir N4 P
• Title of publication: Phosphorescent cationic iridium(iii) complexes bearing a nonconjugated six-membered chelating ancillary ligand: a strategy for tuning the emission towards the blue.
• Authors of publication: Hierlinger, Claus; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10569 - 10577
• a: 10.9755 ± 0.001 Å
• b: 19.9924 ± 0.0018 Å
• c: 24.106 ± 0.002 Å
• α: 90°
• β: 99.867 ± 0.003°
• γ: 90°
• Cell volume: 5211.3 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0557
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No