Information card for entry 7236885

Structure parameters

• Formula: C42 H42 F12 Ir N8 O4 P
• Calculated formula: C42 H42 F12 Ir N8 O4 P
• Title of publication: Blue-emitting cationic iridium(iii) complexes featuring pyridylpyrimidine ligands and their use in sky-blue electroluminescent devices
• Authors of publication: Henwood, Adam F.; Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Rees, Thomas W.; Momblona, Cristina; Babaei, Azin; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Zysman-Colman, Eli
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 37
• Pages of publication: 9638
• a: 13.3398 ± 0.0014 Å
• b: 14.351 ± 0.002 Å
• c: 15.983 ± 0.002 Å
• α: 80.569 ± 0.013°
• β: 67.093 ± 0.01°
• γ: 74.566 ± 0.012°
• Cell volume: 2710.6 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2916
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.3071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No