Information card for entry 7237422

Structure parameters

• Formula: C40 H30 F4 Ir N3 O3
• Calculated formula: C40 H30 F4 Ir N3 O3
• Title of publication: Effect of fluorine substitution of the β-ketoiminate ancillary ligand on photophysical properties and electroluminescence ability of new iridium(iii) complexes
• Authors of publication: Witkowska, Ewelina; Wiosna-Salyga, Gabriela; Glowacki, Ireneusz; Orwat, Bartosz; Oh, Myong-joon; Kownacki, Ireneusz; Kubicki, Maciej; Gierczyk, Blazej; Dutkiewicz, Michal; Cieszko, Pawel; Luszczynska, Beata; Ulanski, Jacek; Grzelak, Izabela; Hoffmann, Marcin; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 32
• Pages of publication: 8688
• a: 16.4734 ± 0.0006 Å
• b: 12.7322 ± 0.0005 Å
• c: 31.2845 ± 0.0011 Å
• α: 90°
• β: 99.973 ± 0.003°
• γ: 90°
• Cell volume: 6462.5 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No