Information card for entry 7236757

Structure parameters

• Chemical name: Ir(dfCF3)2pic
• Formula: C32 H18 F10 Ir N3 O2
• Calculated formula: C32 H18 F10 Ir N3 O2
• Title of publication: Important role of ancillary ligand in the emission behaviours of blue-emitting heteroleptic Ir(iii) complexes
• Authors of publication: Cho, Yang-Jin; Kim, So-Yoen; Kim, Jin-Hyoung; Crandell, Douglas W.; Baik, Mu-Hyun; Lee, Jiwon; Kim, Chul Hoon; Son, Ho-Jin; Han, Won-Sik; Kang, Sang Ook
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 18
• Pages of publication: 4480
• a: 12.3776 ± 0.0007 Å
• b: 11.0464 ± 0.0006 Å
• c: 25.9094 ± 0.0012 Å
• α: 90°
• β: 111.236 ± 0.002°
• γ: 90°
• Cell volume: 3302 ± 0.3 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: 0.0383
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No