Information card for entry 7236958

Structure parameters

• Chemical name: (4-MeOpfupy)2Ir(acac)
• Formula: C33 H27 Ir N2 O6
• Calculated formula: C33 H27 Ir N2 O6
• Title of publication: Methoxyl modification in furo[3,2-c]pyridine-based iridium complexes towards highly efficient green- and orange-emitting electrophosphorescent devices
• Authors of publication: Yan, Zhimin; Wang, Yanping; Ding, Junqiao; Wang, Yue; Wang, Lixiang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 46
• Pages of publication: 12221
• a: 14.3281 ± 0.0009 Å
• b: 19.2115 ± 0.0012 Å
• c: 10.7242 ± 0.0007 Å
• α: 90°
• β: 111.511 ± 0.0008°
• γ: 90°
• Cell volume: 2746.4 ± 0.3 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 5
• 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: 0.0231
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No