Information card for entry 7043389

Structure parameters

• Formula: C39 H28 F6 Ir N4 O P
• Calculated formula: C39 H28 F6 Ir N4 O P
• Title of publication: Microwave-assisted one-pot synthesis of new ionic cyclometalated iridium complexes of [Ir(bzq)2(N^N)]+A- type and their selected electroluminescent properties
• Authors of publication: Orwat, Bartosz; Witkowska, Ewelina; Kownacki, Ireneusz; Oh, Myong-joon; Hoffmann, Marcin; Kubicki, Maciej; Grzelak, Izabela; Marciniec, Bogdan; Głowacki, Ireneusz; Luszczynska, Beata; Wiosna-Sałyga, Gabriela; Ulanski, Jacek; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.1984 ± 0.0005 Å
• b: 14.8577 ± 0.0005 Å
• c: 18.2375 ± 0.0007 Å
• α: 90°
• β: 101.868 ± 0.004°
• γ: 90°
• Cell volume: 3234.7 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No