Information card for entry 7236822

Structure parameters

• Common name: (tnt-qzl)2Irtpip
• Chemical name: Bis(4-(2,6-bis(trifluoromethyl)pyridin-4-yl)quinazoline)(tetraphenylimidodiphosphinate)iridium(III)
• Formula: C54 H34 F12 Ir N7 O2 P2
• Calculated formula: C54 H32 F12 Ir N7 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: 21.9704 ± 0.0009 Å
• b: 16.6574 ± 0.0007 Å
• c: 13.7024 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5014.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No