Information card for entry 7236821

Structure parameters

• Common name: (tnt-iq)2Irtpip
• Chemical name: Bis(1-(2,6-bis(trifluoromethyl)pyridin-4-yl)isoquinoline)(tetraphenylimidodiphosphinate)iridium(III)
• Formula: C56 H34 F12 Ir N5 O2 P2
• Calculated formula: C56 H34 F12 Ir N5 O2 P2
• Title of publication: Highly efficient orange-red electroluminescence of iridium complexes with good electron mobility
• Authors of publication: Han, Hua-Bo; Cui, Rong-Zhen; Jing, Yi-Ming; Lu, Guang-Zhao; Zheng, You-Xuan; Zhou, Liang; Zuo, Jing-Lin; Zhang, Hongjie
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 32
• Pages of publication: 8150
• a: 16.542 ± 0.0013 Å
• b: 13.6955 ± 0.0011 Å
• c: 23.0919 ± 0.0019 Å
• α: 90°
• β: 97.4996 ± 0.0013°
• γ: 90°
• Cell volume: 5186.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No