Information card for entry 7236755

Structure parameters

• Common name: k130801
• Chemical name: Ir(dfCF3)2acac
• Formula: C31 H21 F10 Ir N2 O2
• Calculated formula: C31 H21 F10 Ir N2 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: 21.2811 ± 0.0013 Å
• b: 7.9273 ± 0.0005 Å
• c: 17.6973 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2985.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No